SCHEMBL13345883

SCHEMBL13345883

O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.65
MEN1 O00255 8/20 0.65
POLB P06746 5/20 0.65
GAA P10253 3/20 0.64
MAPT P10636 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
MITF O75030 1/20 0.64
NCOA1 Q15788 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
USP2 O75604 1/20 0.62
KDM4E B2RXH2 3/20 0.60
MAPK1 P28482 2/20 0.60
CA1 P00915 1/20 0.59
CA9 Q16790 1/20 0.59
ALPL P05186 1/20 0.58
ALPI P09923 1/20 0.58
ALPG P10696 1/20 0.58
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL13345885 0.93 KMT2A (0.73) KMT2AMEN1POLBGAAMAPT
SCHEMBL4230145 0.88 KMT2A (0.63) KMT2AMEN1POLBGAAMAPT
SCHEMBL77381 0.84 CA1 (0.77) KMT2AMEN1GAANPC1RAB9A
SCHEMBL6636734 0.84 KMT2A (0.77) KMT2AMEN1POLBGAAMAPT
SCHEMBL6640806 0.81 NPC1 (0.62) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL12857795 0.81 KMT2A (0.72) KMT2AMEN1POLBMAPTNPC1
SCHEMBL31354441 0.79 MEN1 (0.70) KMT2AMEN1POLBGAAMAPT
SCHEMBL10724443 0.79 MEN1 (0.70) KMT2AMEN1POLBGAAMAPT
SCHEMBL22351812 0.79 KMT2A (0.62) KMT2AMEN1POLBGAAMAPT
SCHEMBL6633920 0.79 MMP3 (0.62) KMT2AMEN1POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.