SCHEMBL12857769

SCHEMBL12857769

COc1cccc(C(=O)NNC(=O)c2ccc3ccccc3c2O)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.73
▸ MEN1 O00255 10/20 0.73
▸ POLB P06746 3/20 0.73
▸ NPC1 O15118 4/20 0.63
▸ RAB9A P51151 4/20 0.63
▸ KDM4A O75164 1/20 0.62
▸ CTDSP1 Q9GZU7 1/20 0.62
▸ KDM4C Q9H3R0 1/20 0.62
▸ GAA P10253 3/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.57
▸ KAT6A Q92794 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ FFAR4 Q5NUL3 1/20 0.53
▸ GPR139 Q6DWJ6 1/20 0.53
▸ KCNJ11 Q14654 1/20 0.53

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
SCHEMBL12857691 0.86 KMT2A (0.74) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL12871351 0.80 NPC1 (0.90) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL12857674 0.78 KMT2A (0.73) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL17354457 0.76 NPC1 (0.71) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL21829023 0.76 KMT2A (0.78) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL10888080 0.74 PLG (0.66) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL2680569 0.73 CNR2 (0.54) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3772232 0.72 NPC1 (0.76) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL6640777 0.72 ALDH1A1 (0.68) KMT2AMEN1POLBRAB9AKDM4A
SCHEMBL2717887 0.72 RAB9A (0.74) KMT2AMEN1POLBNPC1RAB9A

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-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 — — US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 — — US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 — — US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 — — US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 — — US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 — — 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 (3 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-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 KMT2A 3993/4885MEN1 2560/4885POLB 317/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 KMT2A 3993/4885MEN1 2560/4885POLB 317/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 KMT2A 3993/4885MEN1 2560/4885POLB 317/4885

“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.

Send feedback