SCHEMBL7598671

SCHEMBL7598671

O=C(Cc1ccccc1)NCCc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HCAR3 P49019 3/20 0.48
GAA P10253 1/20 0.48
CASP6 P55212 1/20 0.48
PTPN1 P18031 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL7910010 0.92 SMN1; SMN2 (0.52) HPGDSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL6559025 0.82 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL11463892 0.81 HCAR3 (0.54) SMN1; SMN2HCAR3CASP6MAPT
SCHEMBL7515852 0.79 KMT2A (0.59) SMN1; SMN2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL5335200 0.76 MTNR1A (0.70) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7596226 0.75 HCAR3 (0.51) SMN1; SMN2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL7518025 0.75 SMN1; SMN2 (0.71) HPGDSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL4521175 0.75 TSHR (0.50) NPC1RAB9AALDH1A1HCAR3CASP6
SCHEMBL8092214 0.74 CASP6 (0.64) HCAR3CASP6
SCHEMBL6958219 0.74 SMN1; SMN2 (0.68) HPGDSMN1; SMN2NPC1RAB9AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 US 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 (1 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 HPGD 223/4885SMN1; SMN2 4367/4885NPC1 827/4885

“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.