SCHEMBL4703105

SCHEMBL4703105

NCCCCCc1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.64
ASIC3 Q9UHC3 1/20 0.64
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DRD2 P14416 6/20 0.57
HTR1A P08908 6/20 0.57
HTR7 P34969 6/20 0.57
SLC6A4 P31645 3/20 0.57
PDE10A Q9Y233 1/20 0.51
HTR2A P28223 4/20 0.51
HTR2C P28335 3/20 0.51
LMNA P02545 1/20 0.51
DRD3 P35462 5/20 0.50
HPGD P15428 3/20 0.50
DRD4 P21917 3/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 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
SCHEMBL29111661 1.00 UBE2T (0.64) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL11437569 1.00 UBE2T (0.64) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL4700806 1.00 UBE2T (0.64) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL8088124 0.98 UBE2T (0.66) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL10763327 0.93 UBE2T (0.68) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL27509034 0.91 SMN1; SMN2 (0.68) UBE2TASIC3ALOX15HTTSMN1; SMN2
Bromide SCHEMBL11522514 0.90 SMN1; SMN2 (0.66) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL3529770 0.86 UBE2T (0.72) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL9641726 0.86 SMN1; SMN2 (0.70) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL28125052 0.84 UBE2T (0.61) UBE2TASIC3ALOX15HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP claimed
US-4026815-A ADDING A PHOSPHONOCARBOXYLIC ACID AND A BENZIMIDAZOLE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US claimed
US-4000079-A ANTIFREEZE ADDITIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7384966-B2 2-arylbenzothiazole derivatives PHARMINXO LIMITED (GB) 2008-06-10 US disclosed
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
EP-0949238-A1 SUBSTITUTED PROPIONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
EP-0854388-A2 Negative-type image recording materials FUJI PHOTO FILM CO., LTD. (JP) 1998-07-22 EP disclosed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP disclosed
US-4235838-A IN OIL AND GAS WELLS PETROLITE CORPORATION (US) 1980-11-25 US disclosed
US-4026815-A ADDING A PHOSPHONOCARBOXYLIC ACID AND A BENZIMIDAZOLE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-4000079-A ANTIFREEZE ADDITIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3972890-A ACID CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 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 (1 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 UBE2T 4197/4885ASIC3 3291/4885ALOX15 1190/4885

“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.