SCHEMBL482111

SCHEMBL482111

Cc1cc(C(N)=O)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNB2 P17787 1/20 0.50
SLC6A2 P23975 1/20 0.50
CHRNB4 P30926 1/20 0.50
SLC6A4 P31645 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CHRND Q07001 1/20 0.50
PARP1 P09874 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
LCK P06239 1/20 0.42
BRD4 O60885 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BRPF1 P55201 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Hydrochloric Acid SCHEMBL8796442 0.98 CHRNA1 (0.49) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL1163376 0.83 HPGD (0.56) PARP1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL27581493 0.83 HTT (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL588574 0.81 CHRNA1 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL1806409 0.81 PARP1 (0.50) PARP1SMN1; SMN2MAPK1LCKBRD4
SCHEMBL141936 0.81 TSHR (0.52) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL29784872 0.81 CHRNA1 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL1002832 0.80 PRSS1 (0.61) PARP1SMN1; SMN2MAPK1LCKALDH1A1
SCHEMBL29503140 0.80 PRSS1 (0.61) PARP1SMN1; SMN2MAPK1LCKALDH1A1
SCHEMBL27557037 0.80 PARP1 (0.54) PARP1SMN1; SMN2MAPK1LCKBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010621-B Synthesis method of 4-bromo-3-methylbenzonitrile 山东百启生物医药有限公司 2023-11-03 CN claimed
CN-115010621-A Synthetic method of 4-bromo-3-methylbenzonitrile 山东百启生物医药有限公司 2022-09-06 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
JP-2007523865-A 2007-08-23 JP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
EP-4565562-B1 PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES NXERA PHARMA UK LTD (GB) 2026-05-27 EP disclosed
US-20260042745-A1 PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES NXERA PHARMA UK LIMITED (GB) 2026-02-12 US disclosed
US-12492174-B2 Morpholine-3-carboxamide derivatives as prostaglandin E2 receptor 4 (EP4) agonists for the treatment of gastrointestinal and pulmonary diseases NXERA PHARMA UK LIMITED (GB) 2025-12-09 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1996019477-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
EP-0702012-A1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-20 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 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 (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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG CHRNA1 3781/4885CHRNG 1855/4885CHRNB1 3719/4885
US-20260042745-A1 PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES PTGER4, PTGER1, PTGER2 CHRNA1 183/4885CHRNG 210/4885CHRNB1 261/4885
US-12492174-B2 Morpholine-3-carboxamide derivatives as prostaglandin E2 receptor 4 (EP4) agonists for the treatment of gastrointestinal and pulmonary diseases PTGER4, PTGER1, PTGER2 CHRNA1 309/4885CHRNG 326/4885CHRNB1 451/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 CHRNA1 149/4885CHRNG 370/4885CHRNB1 240/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG CHRNA1 3781/4885CHRNG 1855/4885CHRNB1 3719/4885

“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.