SCHEMBL7776289

SCHEMBL7776289

C1=C(c2ccccc2)N=NC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NOTUM Q6P988 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ NISCH Q9Y2I1 1/20 0.30
▸ CFTR P13569 1/20 0.30
▸ GOPC Q9HD26 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 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
SCHEMBL18708432 0.77 TDP1 (0.35) ALDH1A1RAB9ANPC1NOTUMMEN1
SCHEMBL23992680 0.63 NPC1 (0.32) RAB9ANPC1MAPK1
SCHEMBL1326009 0.58 — —
Biphenyl SCHEMBL21239964 0.58 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL164 0.58 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL1358618 0.58 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL2548048 0.58 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM
SCHEMBL30629023 0.58 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL4002609 0.58 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL29008551 0.58 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137389-A1 LINKER MOLECULE FOR MULTIPLEX RECOGNITION BY ATOMIC FORCE MICROSCOPY (AFM) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-18 — — US disclosed
CN-106164060-A Oxirane compound and method for producing nitrogen-containing heterocyclic compound using same 日本电石工业株式会社 2016-11-23 — — CN disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 — — US disclosed
EP-0759907-B1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AG (DE) 2001-10-10 — — EP disclosed
EP-1116717-A1 Substituted 3-phenylpyrazoles as herbicides BASF AKTIENGESELLSCHAFT (DE) 2001-07-18 — — EP disclosed
EP-0836593-B1 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES BASF AG (DE) 2001-02-14 — — EP disclosed
EP-0759907-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-05 — — EP disclosed
WO-1995032188-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 — — WO disclosed
EP-0007019-A1 5-Phenyl-pyrazole derivatives and their salts, processes for their preparation and medicines containing them Kali-Chemie Pharma GmbH (DE) 1980-01-23 — — EP disclosed
US-4182623-A HERBICIDES, PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1980-01-08 — — 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 (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-20170137389-A1 LINKER MOLECULE FOR MULTIPLEX RECOGNITION BY ATOMIC FORCE MICROSCOPY (AFM) EPCAM, ILK, DYNLL2 ALDH1A1 4160/4885RAB9A 3838/4885NPC1 4463/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 ALDH1A1 294/4885RAB9A 2266/4885NPC1 446/4885

“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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