SCHEMBL509242

SCHEMBL509242

Cc1ccc(N(C)C)cc1C(=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
MAPT P10636 6/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 1/20 0.37
PDK2 Q15119 1/20 0.37
SLC16A3 O15427 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL509222 0.85 MAPT (0.45) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11111985 0.82 SLC16A3 (0.49) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL10390272 0.81 LMNA (0.37) ALDH1A1HSD17B10KMT2ASMN1; SMN2PDK2
SCHEMBL10389402 0.80 MEN1 (0.50) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL17774972 0.79 MAP4K1 (0.44) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24941116 0.78 PDK2 (0.45) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL13037406 0.78 MAPT (0.39) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL11989340 0.78 MEN1 (0.41) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL824940 0.77 HPGD (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL4158939 0.77 CES2 (0.44) ALDH1A1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314123-B2 5, 6, or 7-substituted -3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
EP-2099765-B1 5, 6, OR 7-SUBSTITUTED-3-ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS REXAHN PHARMACEUTICALS INC (US) 2012-08-29 EP disclosed
EP-2423196-A1 5, 6 or 7-substituted-3-phenylisoquinolinamine derivatives and therapeutic use thereof Rexahn Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF REXAHN PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-8034829-B2 e.g. 3-(3-methoxyphenyl)isoquinolin-1-amine; antiproliferative and antigrowth agent; breast tumors, prostate tumors, colon tumors, ovary tumors, kidney tumors, pancreas tumors, glioblastoma and melanoma. REXAHN PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
EP-2099765-A2 5, 6, OR 7-SUBSTITUTED-3-(HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS Rexahn Pharmaceuticals, Inc. (US) 2009-09-16 EP disclosed
US-20080182871-A1 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
WO-2008063548-A2 5, 6, OR 7-SUBSTITUTED-S- (HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS REXAHN PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
US-4942163-A LEUKEMIA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-17 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-20080182871-A1 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof FANCD2, NRAS, CCND2 ALDH1A1 997/4885MAPT 4755/4885HPGD 204/4885
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF FANCD2, NRAS, CCND2 ALDH1A1 997/4885MAPT 4755/4885HPGD 204/4885

“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.