SCHEMBL514206

SCHEMBL514206

O=[C]NCc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CHRM2 P08172 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
PNMT P11086 1/20 0.45
IDO1 P14902 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3246079 0.84 PNMT (0.50) NPC1RAB9AALDH1A1CYP3A4CYP2D6
SCHEMBL5546533 0.78 AKR1B1 (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL3304786 0.78 P2RX7 (0.43) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL5546693 0.77 GABRA1 (0.43) ALDH1A1TP53SMN1; SMN2L3MBTL1MAPT
SCHEMBL14690134 0.76 CHRM2 (0.56) NPC1RAB9ACHRM2ALDH1A1MEN1
SCHEMBL5210365 0.76 IDO1 (0.48) NPC1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL28681161 0.76 NPC1 (0.47) NPC1RAB9ACHRM2ALDH1A1MEN1
SCHEMBL5544097 0.75 CYP3A4 (0.33) MEN1KMT2ACYP3A4PNMTSMN1; SMN2
SCHEMBL5542292 0.75 CYP2D6 (0.44) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL81122 0.75 LMNA (0.55) ALDH1A1MEN1KMT2ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019046465-A2 THERAPEUTIC INDOLES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-07 WO claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 EP claimed
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
US-6995185-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-02-07 US claimed
US-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-28 US claimed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001079155-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-25 WO claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 WO claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 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 (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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 NPC1 190/4885RAB9A 4614/4885CHRM2 1777/4885
US-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 NPC1 4431/4885RAB9A 4253/4885CHRM2 4764/4885

“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.