SCHEMBL696548

SCHEMBL696548

O=C(O)c1cccc2nc(-c3ccccc3)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.56
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 5/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PARP1 P09874 4/20 0.50
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
KDM4A O75164 1/20 0.49
KDM5A P29375 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
PIN1 Q13526 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49

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
SCHEMBL15958954 0.89 PARP1 (0.62) DHODHALDH1A1KDM4ERAB9AHPGD
SCHEMBL6840234 0.89 ALDH1A1 (0.52) DHODHALDH1A1KDM4ERAB9ANPC1
SCHEMBL6840235 0.88 TNKS (0.54) DHODHALDH1A1KDM4ERAB9ANPC1
SCHEMBL6840181 0.88 TNKS (0.54) DHODHALDH1A1KDM4ERAB9AHPGD
SCHEMBL3579908 0.88 PARP1 (0.61) DHODHALDH1A1KDM4ERAB9ANPC1
SCHEMBL15958955 0.88 PARP1 (0.47) DHODHALDH1A1KDM4ERAB9ANPC1
SCHEMBL505009 0.87 DHODH (0.65) DHODH
SCHEMBL505273 0.87 PARP1 (0.52) DHODHALDH1A1KDM4EHPGDPARP1
SCHEMBL505582 0.86 DHODH (0.64) DHODHALDH1A1KDM4EHPGDPARP1
SCHEMBL6840289 0.86 PIN1 (0.56) DHODHALDH1A1KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US claimed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US claimed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
CN-109096204-B Dye compound and preparation method and application thereof 徐州合谷生命科技有限公司 2021-09-17 CN disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
EP-2959918-B1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J PHARMA CO LTD (JP) 2019-05-22 EP disclosed
US-10172835-B2 Anticancer agent composition J-PHARMA CO., LTD. (JP) 2019-01-08 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
US-20160279103-A1 AN ANTICANCER AGENT COMPOSITION J-PHARMA CO., LTD. (JP) 2016-09-29 US disclosed
EP-2959918-A1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J-Pharma Co., Ltd. (JP) 2015-12-30 EP disclosed
US-6310082-B1 PHARMACEUTICAL COMPOSITION COMPRISING EFFECTIVE POLY(ADP-RIBOSE)POLYMERASE ENZYME INHIBITING AMOUNT OF BENZIMIDAZOLE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT AND/OR PRO-DRUG FORM THEREOF, WITH ACCEPTABLE CARRIER NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-30 US disclosed
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US disclosed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US disclosed
US-6100283-A PRODRUG PHOSPHATE DERIVATIVE FOR POLY (ADP-RIBOSE) POLYMERASE ENZYME INHIBITOR FOR ADMINISTERING IN CONJUNCTION WITH ANTITUMOR DRUG OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2000-08-08 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed
US-5852046-A Benzo-fused heterocyclic compounds having a 5-membered ring processes for their preparation their use as medicaments their use as diagnostic agents and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
CN-1195985-A Benzimidazole compounds UNIV NEWCASTLE VENTURES LTD (GB) 1998-10-14 CN disclosed
EP-0841924-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-20 EP disclosed
WO-1997004771-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1997-02-13 WO 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 (6 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DHODH 4397/4885ALDH1A1 4193/4885KDM4E 3495/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 DHODH 4428/4885ALDH1A1 4421/4885KDM4E 3117/4885
US-20160279103-A1 AN ANTICANCER AGENT COMPOSITION TUBB1, TUBA1A, TUBA1C DHODH 2990/4885ALDH1A1 2612/4885KDM4E 4145/4885
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof EIF2AK2, CDK15, CDK17 DHODH 889/4885ALDH1A1 3805/4885KDM4E 2008/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DHODH 4397/4885ALDH1A1 4193/4885KDM4E 3495/4885
US-10172835-B2 Anticancer agent composition TOP1, TUBB1, TUBA1A DHODH 2779/4885ALDH1A1 2554/4885KDM4E 4258/4885

“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.