SCHEMBL90481

SCHEMBL90481

O=CNc1ccc(F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
HTT P42858 3/20 0.52
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC2A1 P11166 1/20 0.51
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.47
SOS1 Q07889 1/20 0.47
FADS1 O60427 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
SCHEMBL19632330 1.00 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6783917 0.84 RAPGEF4 (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL241795 0.81 RAB9A (0.46) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL244815 0.81 EPHX1 (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6991764 0.76 ALDH1A1 (0.47) MAPTALDH1A1TSHRHSD17B10LMNA
SCHEMBL5046512 0.76 RAPGEF4 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL11342814 0.76 MAPT (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL19444177 0.76 SMN1; SMN2 (0.48) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL19791118 0.76 ALDH1A1 (0.40) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL2658362 0.76 ALDH1A1 (0.40) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828739-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2002-09-11 EP claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-5922732-A INSECTICIDES, MITICIDES AND NEMATOCIDES ZENECA LIMITED (GB) 1999-07-13 US claimed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
WO-2019154343-A1 CAPSID PROTEIN ASSEMBLY INHIBITOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 正大天晴药业集团股份有限公司 2019-08-15 WO disclosed
US-9862675-B1 Method of N-formylating amines with a phosphonic anhydride KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2018-01-09 US disclosed
WO-2016096721-A1 PYRAZOLOPYRIDINAMINES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (UK) 2016-02-25 US disclosed
EP-2978316-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
WO-2014154488-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
EP-0828739-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2002-09-11 EP disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
CN-1026980-C Synthesis process of alpha-ethoxyformyl-beta- (polyhalogenated anilino) -ethyl acrylate NANJING PHARMACEUTIC INST (CN) 1994-12-14 CN disclosed
CN-1057830-A α-ethoxycarbonyl-β-(phenyl polyhalide amido)-ethyl propenoate synthesis technique MEDICAL INST NANJING CITY (CN) 1992-01-15 CN disclosed
US-4257805-A Herbicidal (4-substituted-phenylamino)-3-(trifluoromethyl)phenyl)ureas SHELL OIL COMPANY (US) 1981-03-24 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 (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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 NPC1 1098/4885RAB9A 2046/4885MEN1 3865/4885
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH NPC1 3029/4885RAB9A 748/4885MEN1 2201/4885

“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.