SCHEMBL501850

SCHEMBL501850

Cc1cc(C)cc(C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.60
TPMT P51580 1/20 0.59
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
C1S P09871 1/20 0.56
PRSS3 P35030 1/20 0.56
PARP10 Q53GL7 1/20 0.48
HCAR1 Q9BXC0 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 5/20 0.43
CYP3A4 P08684 2/20 0.43
DHODH Q02127 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 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
SCHEMBL12865158 0.94 PARP1 (0.60) PARP1TPMTPRSS1PRSS2C1S
SCHEMBL3087359 0.91 TSHR (0.55) PARP1TPMTPRSS1PRSS2C1S
SCHEMBL27704356 0.85 TPMT (0.70) PARP1TPMTPRSS1PRSS2C1S
SCHEMBL13917960 0.85 HCAR1 (0.65) PARP1TPMTPRSS1PRSS2C1S
SCHEMBL1363884 0.84 PARP1 (0.50) PARP1TPMTPRSS1PRSS2C1S
SCHEMBL11526256 0.84 PARP1 (0.50) PARP1TPMTPRSS1PRSS2C1S
SCHEMBL2468003 0.84 PARP1 (0.50) PARP1TPMTPRSS1PRSS2C1S
SCHEMBL22383502 0.84 PARP1 (0.50) PARP1TPMTPRSS1PRSS2C1S
SCHEMBL28069063 0.83 CYP1A2 (0.50) PARP1TPMTPRSS1PRSS2C1S
SCHEMBL12021010 0.82 TPMT (0.52) PARP1TPMTPRSS1PRSS2C1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180188-B2 Antifibrotic compounds and related methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2024-12-31 US claimed
CN-118063395-A Preparation method of anti-AIDS drug Ai Nuowei Lin Zhongjian 成都艾迪医药技术有限公司 2024-05-24 CN claimed
CN-117126487-A Near infrared transmission resin composition and preparation method and application thereof 四川大学 2023-11-28 CN claimed
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
EP-4153177-A1 ANTIFIBROTIC COMPOUNDS AND RELATED METHODS Florida State University Research Foundation, Inc. (US) 2023-03-29 EP claimed
US-20230090542-A1 Antifibrotic Compounds And Related Methods THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2023-03-23 US claimed
US-11548874-B2 Antifibrotic compounds and related methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-01-10 US claimed
CN-114835926-A Preparation method of antibacterial bright red chinlon 6 master batch and antibacterial cool feeling bright red chinlon 6 filament 福建景丰科技有限公司 2022-08-02 CN claimed
US-20210363131-A1 Antifibrotic Compounds And Related Methods THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2021-11-25 US claimed
WO-2021236410-A1 ANTIFIBROTIC COMPOUNDS AND RELATED METHODS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-11-25 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
US-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-07-15 US claimed
WO-2004056820-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO claimed
US-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-18 US claimed
WO-2003059899-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-07-24 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
US-4084056-A FROM AN AROMATIC AMIDE AND A GROUP IA OR IIA HYPOCHLORITE WITH A CARBAMATE SUBSTITUTED PHENOL AB BOFORS (SW) 1978-04-11 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 (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-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof NR3C1, NR3C2, MC2R PARP1 3616/4885TPMT 629/4885PRSS1 479/4885
US-11548874-B2 Antifibrotic compounds and related methods COL1A1, COL2A1, COLGALT1 PARP1 2402/4885TPMT 1976/4885PRSS1 829/4885
US-12180188-B2 Antifibrotic compounds and related methods COL1A1, COL2A1, COLGALT1 PARP1 2402/4885TPMT 1976/4885PRSS1 829/4885
US-20230090542-A1 Antifibrotic Compounds And Related Methods COL1A1, COL2A1, COLGALT1 PARP1 2402/4885TPMT 1976/4885PRSS1 829/4885
US-20210363131-A1 Antifibrotic Compounds And Related Methods COL1A1, COL2A1, COLGALT1 PARP1 2402/4885TPMT 1976/4885PRSS1 829/4885
US-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents XDH, TBXA2R, TBXAS1 PARP1 1401/4885TPMT 904/4885PRSS1 2467/4885

“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.