SCHEMBL1450952

SCHEMBL1450952

[O]c1ccc(C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
RAB9A P51151 2/20 0.41
PTGS1 P23219 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
APAF1 O14727 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
DAO P14920 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL8765696 0.76 TSHR (0.35) KMT2ATSHR
SCHEMBL15226708 0.76 KMT2A (0.47) KMT2ARAB9APTGS1NPC1MAPT
SCHEMBL811160 0.75 NPSR1 (0.53) KMT2ARAB9APTGS1NPC1SMN1; SMN2
SCHEMBL29595709 0.75 NPSR1 (0.53) KMT2ARAB9APTGS1NPC1SMN1; SMN2
SCHEMBL29427147 0.73 KMT2A (0.48) KMT2ARAB9APTGS1NPC1MAPT
SCHEMBL8522 0.73 KMT2A (0.48) KMT2ARAB9APTGS1NPC1MAPT
SCHEMBL4149032 0.73 TRPV4 (0.60) KMT2ARAB9APTGS1NPC1MAPT
SCHEMBL20526137 0.73 KMT2A (0.48) KMT2ARAB9APTGS1NPC1MAPT
SCHEMBL12402864 0.71 KMT2A (0.47) KMT2ARAB9APTGS1NPC1MAPT
SCHEMBL764716 0.71 KMT2A (0.47) KMT2ARAB9APTGS1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3348547-B1 BENZIMIDAZOLE DERIVATIVES AS NAV 1.7 (SODIUM CHANNEL, VOLTAGE-GATED, TYPE IX, ALPHA SUBUNIT (SCN9A)) INHIBITORS FOR TREATING PAIN, DYSURIA AND MULTIPLE SCLEROSIS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2020-07-22 EP claimed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US claimed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US claimed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US claimed
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-10 US claimed
EP-1538138-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2005-06-08 EP claimed
US-20040248877-A1 Polycyclic diazodioxide-based Bcl-2 protein antagonists and use thereof RICERCA BIOSCIENCES, LLC. 2004-12-09 US claimed
WO-2004099162-A1 POLYCYCLIC DIAZODIOXIDE-BASED BCL-2 PROTEIN ANTAGONIST RICERCA BIOSCIENCES, LLC. (US) 2004-11-18 WO claimed
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-07-03 US claimed
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-07-03 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
EP-0896532-B1 ACYL UREA COMPOUNDS FOR THE TREATMENT OF COCCIDIOIDOMYCOSIS IN WARM-BLOODED ANIMALS NOVARTIS AG (CH) 2002-10-02 EP claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
EP-0896532-A1 ACYL UREA COMPOUNDS FOR THE TREATMENT OF COCCIDIOIDOMYCOSIS IN WARM-BLOODED ANIMALS Novartis AG (CH) 1999-02-17 EP claimed
US-5837734-A Method for the treatment of coccidioidomycosis in warm-blooded animals NOVARTIS CORPORATION (US) 1998-11-17 US claimed
WO-1997040826-A1 ACYL UREA COMPOUNDS FOR THE TREATMENT OF COCCIDIOIDOMYCOSIS IN WARM-BLOODED ANIMALS NOVARTIS AG (CH) 1997-11-06 WO claimed
US-5416102-A Administering orally, by injection or implantation, a dosage of flea growth inhibiting benzoyl urea compound CIBA-GEIGY CORPORATION (US) 1995-05-16 US claimed
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP claimed
EP-0049111-A1 Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1982-04-07 EP 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-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT KMT2A 2608/4885RAB9A 3063/4885PTGS1 2773/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP KMT2A 3855/4885RAB9A 3601/4885PTGS1 2037/4885
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT KMT2A 2608/4885RAB9A 3063/4885PTGS1 2773/4885
US-20040248877-A1 Polycyclic diazodioxide-based Bcl-2 protein antagonists and use thereof BCL2L2, BCL2, BCL2L1 KMT2A 2719/4885RAB9A 1029/4885PTGS1 2012/4885
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent GCN1, L3MBTL3, L3MBTL4 KMT2A 2360/4885RAB9A 456/4885PTGS1 2375/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 KMT2A 3094/4885RAB9A 2499/4885PTGS1 1372/4885

“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.