SCHEMBL2014658

SCHEMBL2014658

NCC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
CES2 O00748 1/20 0.66
CES1 P23141 1/20 0.66
KMO O15229 1/20 0.64
TP53 P04637 1/20 0.64
ALDH1A1 P00352 5/20 0.62
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
GAA P10253 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
MAPT P10636 3/20 0.54
POLB P06746 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
MITF O75030 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL10792180 1.00 TSHR (0.67) TSHRCES2CES1KMOTP53
Hydrochloric Acid SCHEMBL30301355 0.98 TSHR (0.65) TSHRCES2CES1KMOTP53
Hydrochloric Acid SCHEMBL2498992 0.98 TSHR (0.65) TSHRCES2CES1KMOTP53
SCHEMBL10790552 0.88 TSHR (0.65) TSHRCES2CES1KMOTP53
SCHEMBL1986403 0.86 CES2 (0.70) TSHRCES2CES1KMOTP53
SCHEMBL30512072 0.84 CES2 (0.68) TSHRCES2CES1KMOTP53
SCHEMBL312393 0.84 CES2 (0.68) TSHRCES2CES1KMOTP53
SCHEMBL10793741 0.84 TSHR (0.59) TSHRCES2CES1KMOTP53
SCHEMBL10790549 0.83 TSHR (0.68) TSHRCES2CES1KMOTP53
SCHEMBL38656427 0.83 ALDH1A1 (0.68) TSHRCES2CES1KMOTP53

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 71 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-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
CN-116367832-A Substituted heteroaryl compounds and uses thereof 苏州华明道康生物医药有限公司 2023-06-30 CN disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-0035671-A1 Water-insoluble azo dyestuffs, methods for their preparation and their use in dyeing and printing synthetic hydrophobic fibre materials CASSELLA Aktiengesellschaft (DE) 1981-09-16 EP disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4156086-A INTERMEDIATES FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed
US-4038268-A DIAZOTIZATION, COUPLING BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-3987047-A ANORETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-19 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 (5 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 TSHR 898/4885CES2 4313/4885CES1 1456/4885
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF SSB, BTK, PADI6 TSHR 1706/4885CES2 69/4885CES1 153/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 TSHR 1458/4885CES2 3716/4885CES1 1121/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TSHR 798/4885CES2 3448/4885CES1 424/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 TSHR 1309/4885CES2 2459/4885CES1 651/4885

“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.