SCHEMBL1601110

SCHEMBL1601110

O=[N+]([O-])c1cc(Cc2ccccc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.58
HNF4A P41235 1/20 0.54
SNCA P37840 1/20 0.54
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR35 Q9HC97 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL69585 0.91 SNCA (0.62) SNCAPOLBALDH1A1MAPK1TP53
SCHEMBL30477507 0.91 SNCA (0.62) SNCAPOLBALDH1A1MAPK1TP53
SCHEMBL27986576 0.84 HTR1A (0.50) IDH1HNF4ASNCAPOLBALDH1A1
SCHEMBL11002820 0.80 MAPK1 (0.60) SNCAPOLBALDH1A1MAPK1TP53
SCHEMBL1601620 0.80 ALDH1A1 (0.53) POLBALDH1A1MAPK1TSHRSMN1; SMN2
SCHEMBL9511525 0.80 VCAM1 (0.56) POLBALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL10652958 0.80 CES2 (0.53) POLBALDH1A1MAPK1HPGDTSHR
SCHEMBL29936572 0.80 VCAM1 (0.56) POLBALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL1736272 0.79 POLB (0.62) SNCAPOLBALDH1A1MAPK1TP53
SCHEMBL7219341 0.79 HSPB1 (0.49) POLBALDH1A1MAPK1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104788398-B Benzoxazoles class compound and its production and use 上海交通大学 2017-09-08 CN disclosed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP 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
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 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
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed
US-5516911-A Fluorescent intracellular calcium indicators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-05-14 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 (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 IDH1 3910/4885HNF4A 3052/4885SNCA 3832/4885
US-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT IDH1 198/4885HNF4A 4049/4885SNCA 2967/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 IDH1 3910/4885HNF4A 3052/4885SNCA 3832/4885

“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.