SCHEMBL4180685

SCHEMBL4180685

COc1c(Br)ccc2ccc(O)nc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 5/20 0.49
▸ MEN1 O00255 7/20 0.39
▸ KMT2A Q03164 7/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ AGTR1 P30556 2/20 0.35
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TPMT P51580 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL13737587 0.79 RAB9A (0.52) NQO2MEN1KMT2ANPC1RAB9A
SCHEMBL6970064 0.79 TUBB4A (0.34) MEN1KMT2ANPC1RAB9AAGTR1
SCHEMBL4178974 0.78 ESR1 (0.32) MEN1KMT2ANPC1RAB9AAGTR1
SCHEMBL4177760 0.78 NQO2 (0.49) NQO2MEN1KMT2ANPC1RAB9A
SCHEMBL4176153 0.78 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9AAGTR1
SCHEMBL4539236 0.73 LMNA (0.52) NQO2MEN1KMT2ANPC1RAB9A
SCHEMBL38652759 0.70 NQO2 (0.45) NQO2MEN1KMT2AALOX5APFEN1
SCHEMBL127769 0.70 CA2 (0.55) NQO2ALOX5APFEN1HSD17B10CYP3A4
SCHEMBL6844002 0.70 CCR1 (0.43) KMT2ARAB9AHSD17B10CYP3A4MAPT
SCHEMBL5763166 0.68 BACE1 (0.59) NQO2MEN1KMT2ANPC1RAB9A

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 19 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
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 448/4885MEN1 38/4885KMT2A 2414/4885
US-20090069372-A1 ANTITUMOR AGENTS NHERF1, BACH1, MCL1 NQO2 294/4885MEN1 76/4885KMT2A 2683/4885
US-20070054938-A1 Antitumor agents TP53, NHERF1, MCL1 NQO2 448/4885MEN1 38/4885KMT2A 2414/4885

“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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