SCHEMBL858566

SCHEMBL858566

NC(=O)c1ccc(SCC(NC(=O)CCC(N)C(=O)O)C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 2/20 0.48
APEX1 P27695 1/20 0.46
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
PARP1 P09874 1/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8031472 0.92 APEX1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL13295134 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL858563 0.90 PTGS1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL20856994 0.90 PTGS1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL859188 0.88 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL859168 0.84 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL858833 0.84 APEX1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL859003 0.83 NOD1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL13868150 0.83 PTGS1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL878883 0.82 GLO1 (0.39)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274281-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH 4-IODO-3-NITROBENZAMIDE AND IRINOTECAN BIPAR SCIENCES, INC. (US) 2013-10-17 US disclosed
US-20130274281-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH 4-IODO-3-NITROBENZAMIDE AND IRINOTECAN BIPAR SCIENCES, INC. (US) 2013-10-17 US disclosed
US-20120269861-A1 TREATMENT OF BREAST CANCER WITH IODONITROBENZAMIDES IN COMBINATION WITH ANTI-TUMOR AGENTS BIPAR SCIENCES, INC. (US) 2012-10-25 US disclosed
US-20120269861-A1 TREATMENT OF BREAST CANCER WITH IODONITROBENZAMIDES IN COMBINATION WITH ANTI-TUMOR AGENTS BIPAR SCIENCES, INC. (US) 2012-10-25 US disclosed
US-20120245117-A1 METHODS OF TREATING SQUAMOUS CELL LUNG CANCER WITH 4-IODO-3-NITROBENZAMIDE IN COMBINATION WITH GEMCITABINE AND CARBOPLATIN BIPAR SCIENCES, INC. 2012-09-27 US disclosed
US-20120245117-A1 METHODS OF TREATING SQUAMOUS CELL LUNG CANCER WITH 4-IODO-3-NITROBENZAMIDE IN COMBINATION WITH GEMCITABINE AND CARBOPLATIN BIPAR SCIENCES, INC. 2012-09-27 US disclosed
US-20120238601-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2012-09-20 US disclosed
US-20120238601-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2012-09-20 US disclosed
US-20120130144-A1 TREATMENT OF LUNG CANCER WITH A NITROBENZAMIDE COMPOUND IN COMBINATION WITH A GROWTH FACTOR INHIBITOR BIPAR SCIENCES, INC. (US) 2012-05-24 US disclosed
US-20120130144-A1 TREATMENT OF LUNG CANCER WITH A NITROBENZAMIDE COMPOUND IN COMBINATION WITH A GROWTH FACTOR INHIBITOR BIPAR SCIENCES, INC. (US) 2012-05-24 US disclosed
US-20090131529-A1 Poly/ADP-Ribose/polymerase inhibitors (PARP); administering 4-iodo-3-nitrobenzamide, gemcitabine, and carboplatin; gene therapy BIPAR SCIENCES 2009-05-21 US disclosed
US-20090131529-A1 Poly/ADP-Ribose/polymerase inhibitors (PARP); administering 4-iodo-3-nitrobenzamide, gemcitabine, and carboplatin; gene therapy BIPAR SCIENCES 2009-05-21 US disclosed
US-20090123419-A1 TREATMENT OF UTERINE CANCER AND OVARIAN CANCER WITH A PARP INHIBITOR ALONE OR IN COMBINATION WITH ANTI-TUMOR AGENTS BIPAR SCIENCES 2009-05-14 US disclosed
US-20090123419-A1 TREATMENT OF UTERINE CANCER AND OVARIAN CANCER WITH A PARP INHIBITOR ALONE OR IN COMBINATION WITH ANTI-TUMOR AGENTS BIPAR SCIENCES 2009-05-14 US disclosed
US-20080103104-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103104-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103208-A1 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103208-A1 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
WO-2008030891-A2 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed
WO-2008030883-A2 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131529-A1 Poly/ADP-Ribose/polymerase inhibitors (PARP); administering 4-iodo-3-nitrobenzamide, gemcitabine, and carboplatin; gene therapy PARP2, PARP1, PARP3 ALDH1A1 612/4885SMN1; SMN2 4035/4885KMT2A 553/4885
US-20080103208-A1 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF PARP2, PARP12, PARP3 ALDH1A1 349/4885SMN1; SMN2 4051/4885KMT2A 323/4885
US-20090123419-A1 TREATMENT OF UTERINE CANCER AND OVARIAN CANCER WITH A PARP INHIBITOR ALONE OR IN COMBINATION WITH ANTI-TUMOR AGENTS PARP2, PARP1, PARP3 ALDH1A1 543/4885SMN1; SMN2 4824/4885KMT2A 220/4885
US-20120130144-A1 TREATMENT OF LUNG CANCER WITH A NITROBENZAMIDE COMPOUND IN COMBINATION WITH A GROWTH FACTOR INHIBITOR PARP2, PARP12, PARP15 ALDH1A1 484/4885SMN1; SMN2 4189/4885KMT2A 229/4885
US-20120269861-A1 TREATMENT OF BREAST CANCER WITH IODONITROBENZAMIDES IN COMBINATION WITH ANTI-TUMOR AGENTS ERBB2, EGFR, ERBB3 ALDH1A1 932/4885SMN1; SMN2 4816/4885KMT2A 608/4885
US-20120245117-A1 METHODS OF TREATING SQUAMOUS CELL LUNG CANCER WITH 4-IODO-3-NITROBENZAMIDE IN COMBINATION WITH GEMCITABINE AND CARBOPLATIN IDH3B, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1 ALDH1A1 154/4885SMN1; SMN2 2359/4885KMT2A 1101/4885
US-20080103104-A1 TREATMENT OF CANCER PARP1, PARP2, PARP3 ALDH1A1 794/4885SMN1; SMN2 969/4885KMT2A 758/4885
US-20130274281-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH 4-IODO-3-NITROBENZAMIDE AND IRINOTECAN TOP2B, TOP2A, TOP1 ALDH1A1 1190/4885SMN1; SMN2 460/4885KMT2A 448/4885
US-20120238601-A1 TREATMENT OF CANCER PARP1, PARP2, PARP3 ALDH1A1 794/4885SMN1; SMN2 969/4885KMT2A 758/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.