SCHEMBL1601388

SCHEMBL1601388

COc1ccc(Cc2ccccc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PABPC1 P11940 1/20 0.45
CALM1 P0DP23 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
KDR P35968 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
SCHEMBL14486572 0.85 MEN1 (0.50) LTA4HMEN1KMT2AKDM1AMAOA
SCHEMBL3175950 0.84 CYP3A4 (0.50) LTA4HMEN1KMT2AKDM1AMAOA
SCHEMBL5182991 0.82 KDM1A (0.48) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL12040599 0.81 TDP1 (0.48) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL29501260 0.80 NNMT (0.42) KDM1AMAOAMAOBLMNAPIK3CD
SCHEMBL21384136 0.80 GABRP (0.43) KDM1AMAOAMAOBCYP11B1PIK3CD
SCHEMBL29442869 0.80 GABRP (0.43) KDM1AMAOAMAOBCYP11B1PIK3CD
SCHEMBL21384141 0.80 NPC1 (0.46) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL29442837 0.80 NPC1 (0.46) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL7283731 0.80 LTA4H (0.47) LTA4HMEN1KMT2AKDM1AMAOA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738606-B2 Substituted diarylamines and use of same as antioxidants QUEEN'S UNIVERSITY AT KINGSTON (CA) 2017-08-22 US disclosed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
US-20140206585-A1 Substituted Diarylamines and Use of Same as Antioxidants UNIVERSITA DI BOLOGNA (IT) 2014-07-24 US disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
EP-2121648-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 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 (3 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 LTA4H 203/4885MEN1 484/4885KMT2A 3866/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 LTA4H 203/4885MEN1 484/4885KMT2A 3866/4885
US-20140206585-A1 Substituted Diarylamines and Use of Same as Antioxidants SOD1, NQO1, GPX1 LTA4H 2705/4885MEN1 1790/4885KMT2A 480/4885

“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.