SCHEMBL501398

SCHEMBL501398

Cc1cc(C)nc(N2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GRM5 P41594 4/20 0.44
AR P10275 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14357442 0.86 MEN1 (0.40) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL8605347 0.85 KMT2A (0.44) KMT2AMEN1RXFP1GRM5ALDH1A1
SCHEMBL8607285 0.83 KMT2A (0.46) KMT2AMEN1RXFP1GRM5AR
SCHEMBL11072686 0.83 KMT2A (0.45) KMT2AMEN1RXFP1GRM5AR
SCHEMBL8607339 0.81 SCN2A (0.48) KMT2AMEN1RXFP1GRM5AR
SCHEMBL5026395 0.80 RECQL (0.62) KMT2AMEN1ARALDH1A1GAA
SCHEMBL29562157 0.80 RECQL (0.62) KMT2AMEN1ARALDH1A1GAA
SCHEMBL501633 0.80 KMT2A (0.43) KMT2AMEN1RXFP1GRM5ALDH1A1
SCHEMBL19697807 0.76 BRD4 (0.39) KMT2AMEN1GRM5ALDH1A1GAA
SCHEMBL501694 0.76 NPSR1 (0.59) KMT2AMEN1GRM5ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4124375-A Substituted phthalimides for regulating the growth of plants MONSANTO COMPANY (US) 1978-11-07 US claimed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
CN-1121074-A Novel N-pyridyl carboxamides and derivatives, processes for their preparation and the pharmaceutical compositions which contain them ADIR (FR) 1996-04-24 CN disclosed
US-4124375-A Substituted phthalimides for regulating the growth of plants MONSANTO COMPANY (US) 1978-11-07 US disclosed
US-4072499-A Use of pyridyl phthalimides as plant growth regulants MONSANTO COMPANY (US) 1978-02-07 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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H KMT2A 1928/4885MEN1 4857/4885RXFP1 4501/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H KMT2A 1865/4885MEN1 4857/4885RXFP1 4506/4885

“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.