SCHEMBL4177760

SCHEMBL4177760

COc1c(Br)ccc2ccc(Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 6/20 0.49
▸ MCHR1 Q99705 1/20 0.36
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ TDP2 O95551 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ TUBB1 Q9H4B7 2/20 0.30

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
SCHEMBL4177755 0.81 ALDH1A1 (0.40) NQO2MCHR1MEN1KMT2ANPC1
SCHEMBL13737587 0.79 RAB9A (0.52) NQO2MEN1KMT2ANPC1RAB9A
SCHEMBL20873730 0.79 ALDH1A1 (0.46) NQO2MCHR1MEN1KMT2ANPC1
SCHEMBL14567654 0.79 MCHR1 (0.37) NQO2MCHR1ALDH1A1TDP2NSD2
SCHEMBL6970068 0.79 MCHR1 (0.37) NQO2MCHR1NPC1RAB9AALDH1A1
SCHEMBL4180685 0.78 NQO2 (0.49) NQO2MEN1KMT2ANPC1RAB9A
SCHEMBL4173484 0.78 MCHR1 (0.36) NQO2MCHR1MEN1KMT2ANPC1
SCHEMBL38652759 0.77 NQO2 (0.45) NQO2MEN1KMT2AALDH1A1ALOX5AP
SCHEMBL28942691 0.75 ALOX5AP (0.35) MCHR1ALDH1A1ALOX5APFEN1TDP2
SCHEMBL21631384 0.74 BACE1 (0.36) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183379-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2012-05-22 — — US disclosed
US-8183379-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2012-05-22 — — US disclosed
US-8183379-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2012-05-22 — — US disclosed
US-20090069372-A1 ANTITUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 — — US disclosed
US-20090069372-A1 ANTITUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 — — US disclosed
US-20090069372-A1 ANTITUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 — — US disclosed
US-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 — — US disclosed
US-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 — — US disclosed
US-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 — — US disclosed
CN-101258129-A Quinoline derivatives and use as antitumor agents UNIV WAYNE STATE (US) 2008-09-03 — — CN disclosed
EP-1940794-A2 QUINOLINE DERIVATIVES AND USE AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2008-07-09 — — EP disclosed
WO-2007030780-A2 QUINOLINE DERIVATIVES AND USE AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2007-03-15 — — WO disclosed
US-20070060612-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-15 — — US disclosed
US-20070060612-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-15 — — US disclosed
US-20070060612-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-15 — — US disclosed
US-20070054938-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 — — US disclosed
US-20070054938-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 — — US disclosed
US-20070054938-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 — — 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-20070060612-A1 Antitumor agents TP53, NHERF1, MCL1 NQO2 448/4885MCHR1 2616/4885MEN1 38/4885
US-20090069372-A1 ANTITUMOR AGENTS NHERF1, BACH1, MCL1 NQO2 294/4885MCHR1 2868/4885MEN1 76/4885
US-20070054938-A1 Antitumor agents TP53, NHERF1, MCL1 NQO2 448/4885MCHR1 2616/4885MEN1 38/4885

“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.

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