SCHEMBL537904

SCHEMBL537904

C(=C/c1nc2ccccc2[nH]1)\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 1.00
RAB9A P51151 10/20 1.00
KMT2A Q03164 8/20 1.00
ALDH1A1 P00352 7/20 1.00
KDM4E B2RXH2 7/20 1.00
MEN1 O00255 7/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
HPGD P15428 4/20 1.00
PKM P14618 3/20 1.00
HSP90AA1 P07900 1/20 1.00
MAPT P10636 7/20 0.76
LMNA P02545 5/20 0.76
GAA P10253 4/20 0.76
GLA P06280 2/20 0.76
TP53 P04637 1/20 0.76
TUBB4A P04350 6/20 0.63
TUBB P07437 6/20 0.63
TUBA3C P0DPH7 6/20 0.63
TUBA1B P68363 6/20 0.63
TUBA4A P68366 6/20 0.63

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
SCHEMBL29660212 1.00 NPC1 (1.00) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL537905 1.00 NPC1 (1.00) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL31305038 0.94 NPC1 (0.89) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL1086983 0.90 ALDH1A1 (0.81) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL1086985 0.90 ALDH1A1 (0.81) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL29539476 0.90 ALDH1A1 (0.81) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL709083 0.90 NPC1 (0.81) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL709082 0.90 NPC1 (0.81) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL5572505 0.86 NPC1 (0.76) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL6481418 0.86 NPC1 (0.76) NPC1RAB9AKMT2AALDH1A1KDM4E

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108653281-B Application of E-2-styryl benzimidazole compound in preparation of anti-hepatitis B virus drugs 中山大学 2020-06-09 CN claimed
US-20100256378-A1 FLUORESCENT CELLULAR MARKERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 US claimed
EP-0830345-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP claimed
WO-1996039391-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 WO claimed
JP-6173023-A None JP disclosed
US-12024732-B2 Method for preparing nitrogen-containing heterocyclic compound and derivative thereof by enzymatic-chemical cascade method NANJING TECH UNIVERSITY (CN) 2024-07-02 US disclosed
US-12024732-B2 Method for preparing nitrogen-containing heterocyclic compound and derivative thereof by enzymatic-chemical cascade method NANJING TECH UNIVERSITY (CN) 2024-07-02 US disclosed
US-20240026400-A1 METHOD FOR PREPARING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF BY ENZYMATIC-CHEMICAL CASCADE METHOD NANJING TECH UNIVERSITY (CN) 2024-01-25 US disclosed
US-20240026400-A1 METHOD FOR PREPARING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF BY ENZYMATIC-CHEMICAL CASCADE METHOD NANJING TECH UNIVERSITY (CN) 2024-01-25 US disclosed
CN-108653281-B Application of E-2-styryl benzimidazole compound in preparation of anti-hepatitis B virus drugs 中山大学 2020-06-09 CN disclosed
CN-108503648-B Styryl pyrazolopyrimidine compound, pharmaceutical composition, preparation method and application 安徽医科大学 2020-04-14 CN disclosed
US-20190145981-A1 METHODS FOR DETERMINING DPP3 AND THERAPEUTIC METHODS SPHINGOTEC THERAPEUTICS GMBH (DE) 2019-05-16 US disclosed
US-5880076-A PERSONAL PRODUCT OR DETERGENT COMPOSITION COMPRISING CYCLIC GLYCACARBAMATE AND/OR GLYCAUREA, SURFACTANT LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1999-03-09 US disclosed
US-5795409-A MIXTURE OF A (BENZ)IMIDAZOLE COMPOUND, CHELATE COMPOUND AND IRON SHIKOKU CHEMICALS CORPORATION (JP) 1998-08-18 US disclosed
EP-0830345-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP disclosed
EP-0791671-A1 Surface treating agent for copper or copper alloy SHIKOKU CHEMICALS CORPORATION (JP) 1997-08-27 EP disclosed
WO-1996039391-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 WO disclosed
EP-0550634-B1 POLYHYDROXY FATTY ACID AMIDES IN BRIGHTENER-CONTAINING LIQUID DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 1994-08-03 EP disclosed
JP-H06173023-A SURFACE TREATING AGENT FOR COPPER AND COPPER ALLOY SHIKOKU CHEM CORP 1994-06-21 JP disclosed
US-5174927-A Detergent and builders THE PROCTER & GAMBLE COMPANY (US) 1992-12-29 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-20100256378-A1 FLUORESCENT CELLULAR MARKERS AIFM1, CASP3, BAX NPC1 1894/4885RAB9A 862/4885KMT2A 1656/4885
US-20190145981-A1 METHODS FOR DETERMINING DPP3 AND THERAPEUTIC METHODS DPP3, DPP4, DPP7 NPC1 1090/4885RAB9A 3054/4885KMT2A 4280/4885

“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.