SCHEMBL1019153

SCHEMBL1019153

CC(C)(O)c1ccc(C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
PARP10 Q53GL7 7/20 0.48
PARP4 Q9UKK3 2/20 0.48
PARP1 P09874 2/20 0.48
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
ESRRG P62508 1/20 0.47
KMT2A Q03164 2/20 0.46
PARP15 Q460N3 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP11 Q9NR21 1/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL29606608 0.98 EPHX2 (0.49) EPHX2NR1H4PARP10PARP4PARP1
SCHEMBL4504947 0.94 CA1 (0.48) EPHX2NR1H4PARP10PARP4PARP1
Trifluoroacetic Acid SCHEMBL29607553 0.89 EPHX2 (0.43) EPHX2NR1H4PARP10PARP4PARP1
SCHEMBL284242 0.84 EPHX2 (0.66) EPHX2NR1H4PARP10PARP4PARP1
SCHEMBL27989128 0.84 EPHX2 (0.51) EPHX2NR1H4PARP10PARP4PARP1
Hydrochloric Acid SCHEMBL5012511 0.82 EPHX2 (0.64) EPHX2NR1H4PARP10PARP4PARP1
SCHEMBL547765 0.81 SRD5A2 (0.59) ALDH1A1MAPTTDP1HDAC1SRD5A2
SCHEMBL2677683 0.80 EPHX2 (0.49) EPHX2NR1H4PARP10PARP4PARP1
SCHEMBL3778671 0.80 KMT2A (0.63) EPHX2NR1H4PARP10PARP4PARP1
SCHEMBL16750092 0.79 PARP10 (0.47) EPHX2NR1H4PARP10PARP4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774804-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES Novartis AG (CH) 2021-02-17 EP claimed
WO-2019186343-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES NOVARTIS AG (CH) 2019-10-03 WO claimed
JP-2007523865-A 2007-08-23 JP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP 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-1252157-B1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2004-06-23 EP claimed
US-20260014133-A1 SUBSTITUTED 3-(l-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE/2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLINE-l,3-DIONE ANALOGS AS MODULATORS OF CEREBLON PROTEIN ST JUDES CHIDRENS RES HOSPITAL INC (US) 2026-01-15 US disclosed
US-12441733-B2 Substituted 2,4-dioxotetrahydropyrimidines as intermediates in the synthesis of bruton's tyrosine kinase inhibitors NOVARTIS AG (CH) 2025-10-14 US disclosed
CN-118754858-A N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-10-11 CN disclosed
US-20240158399-A1 N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)benzamide Derivatives NOVARTIS AG (CH) 2024-05-16 US disclosed
CN-111936498-B N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-04-16 CN disclosed
CN-116589466-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2023-08-15 CN disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 WO disclosed
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
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 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 (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-20240158399-A1 N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)benzamide Derivatives PAH, REN, PKD1 EPHX2 2381/4885NR1H4 763/4885PARP10 1482/4885
US-20260014133-A1 SUBSTITUTED 3-(l-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE/2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLINE-l,3-DIONE ANALOGS AS MODULATORS OF CEREBLON PROTEIN CRBN, CDR2, CLNS1A EPHX2 4385/4885NR1H4 4011/4885PARP10 2821/4885
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 EPHX2 2882/4885NR1H4 270/4885PARP10 1696/4885
US-12441733-B2 Substituted 2,4-dioxotetrahydropyrimidines as intermediates in the synthesis of bruton's tyrosine kinase inhibitors BTK, ABL1, LYN EPHX2 2337/4885NR1H4 3722/4885PARP10 1342/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G EPHX2 823/4885NR1H4 602/4885PARP10 1770/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 EPHX2 558/4885NR1H4 206/4885PARP10 2631/4885

“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.