Sugi Predict

Sugi Predict / Compounds / SCHEMBL1002832

SCHEMBL1002832

SCHEMBL1002832

Cc1ccc(C(N)=O)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.61
▸ PRSS2 P07478 1/20 0.61
▸ PRSS3 P35030 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ CES2 O00748 1/20 0.55
▸ CES1 P23141 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ PARP1 P09874 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ MITF O75030 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.50
▸ CHEK2 O96017 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MAPT P10636 5/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ LCK P06239 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL29503140 1.00 PRSS1 (0.61) PRSS1PRSS2PRSS3SMN1; SMN2CES2
SCHEMBL2128609 0.84 PARP1 (0.52) PRSS1PRSS2PRSS3SMN1; SMN2PARP1
SCHEMBL9541786 0.84 PARP1 (0.52) PRSS1PRSS2PRSS3SMN1; SMN2PARP1
SCHEMBL31547637 0.83 BRD4 (0.58) PRSS1PRSS2PRSS3CHEK2
SCHEMBL6825758 0.82 PARP1 (0.50) PRSS1PRSS2PRSS3SMN1; SMN2PARP1
SCHEMBL1805869 0.82 PARP1 (0.50) PRSS1PRSS2PRSS3SMN1; SMN2PARP1
SCHEMBL15708529 0.82 PRSS1 (0.57) PRSS1PRSS2PRSS3SMN1; SMN2CES2
SCHEMBL6632819 0.82 PARP1 (0.50) PRSS1PRSS2PRSS3SMN1; SMN2PARP1
SCHEMBL171027 0.82 LCK (0.53) PRSS1PRSS2PRSS3SMN1; SMN2HTT
SCHEMBL1806409 0.82 PARP1 (0.50) PRSS1PRSS2PRSS3SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 — — CN claimed
CN-114891205-A Preparation method of p-xylylene diamine polyamide and copolymer material thereof 东华大学 2022-08-12 — — CN claimed
CN-105776374-B Black smelly water scavengine agent of one kind and preparation method thereof 沈阳农业大学 2018-11-02 — — CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 — — EP claimed
CN-106986411-A A kind of use in waste water treatment Inorganic-organic Hybrid Material and preparation method thereof 浙江纺织服装职业技术学院 2017-07-28 — — CN claimed
CN-105776374-A Black and odor water cleaning agent and preparation method thereof 沈阳农业大学 2016-07-20 — — CN claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US claimed
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 — — US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 — — EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 — — US claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 — — WO claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 — — WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 — — EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 — — EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 — — WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 — — WO claimed
EP-0692732-A1 Thermally processable image-recording material including reductone developing agent POLAROID CORPORATION (US) 1996-01-17 — — EP claimed
US-5427905-A Thermally processable image-recording material including reductone developing agent POLAROID CORPORATION (US) 1995-06-27 — — US claimed

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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PRSS1 4036/4885PRSS2 4508/4885PRSS3 4624/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 PRSS1 2262/4885PRSS2 2674/4885PRSS3 3840/4885

“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.