SCHEMBL9495103

SCHEMBL9495103

COCC(=O)Nc1cccc(NC(=O)COC)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
HPGD P15428 8/20 0.67
MAPT P10636 2/20 0.67
CYP2C19 P33261 1/20 0.67
ALOX12 P18054 1/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
KDM4C Q9H3R0 1/20 0.59
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.56
NR4A1 P22736 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL17213603 0.90 KMT2A (0.78) SMN1; SMN2HPGDMAPTCYP2C19ALOX12
SCHEMBL11412031 0.90 SMN1; SMN2 (0.64) SMN1; SMN2HPGDMAPTCYP2C19ALOX12
SCHEMBL6579498 0.90 MAPK1 (0.68) SMN1; SMN2HPGDMAPTCYP2C19ALOX12
SCHEMBL11302253 0.88 SMN1; SMN2 (0.62) SMN1; SMN2HPGDMAPTCYP2C19ALOX12
SCHEMBL2502606 0.88 NPC1 (0.76) SMN1; SMN2HPGDMAPTALDH1A1MEN1
SCHEMBL11680494 0.88 SMN1; SMN2 (0.62) SMN1; SMN2HPGDMAPTCYP2C19ALOX12
SCHEMBL2800153 0.88 ALDH1A1 (0.73) SMN1; SMN2HPGDMAPTCYP2C19ALOX12
SCHEMBL14405824 0.87 SMN1; SMN2 (0.70) SMN1; SMN2HPGDMAPTCYP2C19ALOX12
SCHEMBL2282561 0.87 SMN1; SMN2 (0.61) SMN1; SMN2HPGDMAPTCYP2C19ALOX12
SCHEMBL588524 0.86 HPGD (0.86) SMN1; SMN2HPGDMAPTCYP2C19ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150306077-A1 Novel Compositions and Methods for Treating Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-10-29 US disclosed
US-9073851-B2 Compositions and methods for treating cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-07 US disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
EP-0315112-B1 NOVEL AMIDE COMPOUNDS Toyo Boseki Kabushiki Kaisha (JP) 1993-03-17 EP disclosed
US-4912135-A Benzene ring with amido substitutions in position 1 and 3 TOYO BOSEKI KABUSHIKI KAISHA (JP) 1990-03-27 US disclosed
EP-0315112-A2 Novel amide compounds Toyo Boseki Kabushiki Kaisha (JP) 1989-05-10 EP 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 (2 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-20150306077-A1 Novel Compositions and Methods for Treating Cancer HDGF, HCCS, CCNC SMN1; SMN2 2523/4885HPGD 321/4885MAPT 1610/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC SMN1; SMN2 2523/4885HPGD 321/4885MAPT 1610/4885

“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.