SCHEMBL2523217

SCHEMBL2523217

Cn1nc(C(F)(F)F)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.34

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
SCHEMBL2519439 0.82 KDM4E (0.50) KDM4ELMNAGRNSORT1
SCHEMBL29170025 0.81 RAB9A (0.36) RAB9ANPC1ALOX5PTGS1PTGS2
SCHEMBL28780171 0.81 RAB9A (0.36) RAB9ANPC1ALOX5PTGS1PTGS2
SCHEMBL25212516 0.77 TGFBR1 (0.33) ALOX5PTGS1PTGS2KDM4ELMNA
SCHEMBL28237878 0.77 PTGS2 (0.34) PTGS1PTGS2KDM4ELMNACYP3A4
SCHEMBL31532384 0.77 LMNA (0.40) PTGS1PTGS2HDAC3HDAC4HDAC1
SCHEMBL27783208 0.75 LMNA (0.40) KDM4ELMNA
SCHEMBL18695253 0.74 TP53 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2262355 0.74 RAB9A (0.42) RAB9ANPC1ALOX5PTGS1PTGS2
SCHEMBL15158041 0.73 KMT2A (0.46) RAB9ANPC1ALOX5PTGS1PTGS2

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
US-20250368625-A1 PIPERAZINES Grünenthal GmbH (DE) 2025-12-04 — — US disclosed
US-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-05-29 — — US disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-09-14 — — US disclosed
CN-116056697-A 2-oxo-oxazolidine-5-carboxamides as NAV1.8 inhibitors 默沙东有限责任公司 2023-05-02 — — CN disclosed
CN-106458956-B The heterocycle sulfone that heteroaryl replaces 格吕伦塔尔有限公司 2019-06-14 — — CN disclosed
EP-3495360-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-06-12 — — EP disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 — — US disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 — — US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 — — US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 — — US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 — — US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 — — US disclosed
CN-101541801-A Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-09-23 — — CN disclosed
CN-101511818-A N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA CHEMICAL CO LTD (JP) 2009-08-19 — — CN disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 — — EP disclosed
CN-101287721-A Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL CO (JP) 2008-10-15 — — CN disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 — — 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 (9 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RAB9A 855/4885NPC1 4249/4885ALOX5 2263/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RAB9A 855/4885NPC1 4249/4885ALOX5 2263/4885
US-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 RAB9A 474/4885NPC1 482/4885ALOX5 1342/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RAB9A 855/4885NPC1 4249/4885ALOX5 2263/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 RAB9A 1270/4885NPC1 1819/4885ALOX5 2710/4885
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 RAB9A 1720/4885NPC1 247/4885ALOX5 3658/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RAB9A 724/4885NPC1 4389/4885ALOX5 2577/4885
US-20250368625-A1 PIPERAZINES SSTR4, SSTR5, SSTR2 RAB9A 3873/4885NPC1 3587/4885ALOX5 903/4885
US-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 RAB9A 1335/4885NPC1 3526/4885ALOX5 4485/4885

“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.

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