SCHEMBL377496

SCHEMBL377496

O=C1NC(=O)C(Cc2ccc3oc(Cc4ccc5ccccc5c4)nc3c2)S1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.43
PPARG P37231 8/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.42
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
PPARA Q07869 3/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
PTPN1 P18031 1/20 0.39
MPC2 O95563 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL14281402 0.92 FFAR1 (0.43) FFAR1PPARGALDH1A1NPSR1MAPT
SCHEMBL9832774 0.86 ALDH1A1 (0.45) FFAR1PPARGALDH1A1NPSR1MAPT
SCHEMBL9831543 0.85 MAPT (0.58) FFAR1PPARGALDH1A1NPSR1MAPT
SCHEMBL9565667 0.85 MAPT (0.53) FFAR1PPARGALDH1A1NPSR1MAPT
SCHEMBL9829846 0.85 PPARG (0.49) FFAR1PPARGALDH1A1NPSR1PPARA
SCHEMBL9832866 0.85 FFAR1 (0.57) FFAR1PPARGPPARAMPC2CYP2C8
SCHEMBL290976 0.84 UTRN (0.48) FFAR1PPARGALDH1A1NPSR1MAPT
SCHEMBL29702319 0.84 UTRN (0.48) FFAR1PPARGALDH1A1NPSR1MAPT
SCHEMBL9833714 0.83 ALDH1A1 (0.44) FFAR1PPARGALDH1A1NPSR1MAPT
SCHEMBL9468083 0.83 ALDH1A1 (0.44) FFAR1PPARGALDH1A1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682125-B2 Compositions and methods for treating cognitive deficits CASE WESTERN RESERVE UNIVERSITY (US) 2017-06-20 US claimed
US-20140364461-A1 METHOD OF TREATING DERMATOLOGICAL DISORDERS UNIV CASE WESTERN RESERVE (US) 2014-12-11 US claimed
US-20140335105-A1 METHODS OF GENERATING HYPER INOS EXPRESSING CELLS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-13 US claimed
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 US claimed
EP-2766018-A2 RXR AGONISTS COMPOUNDS AND METHODS Case Western Reserve University (US) 2014-08-20 EP claimed
US-8796282-B2 Method of treating dermatological disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-08-05 US claimed
US-8790925-B2 Methods of generating hyper iNOS expressing cells and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-29 US claimed
US-20140170165-A1 METHODS OF GENERATING HYPER INOS EXPRESSING CELLS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2014-06-19 US claimed
WO-2013056232-A2 RXR AGONISTS COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2013-04-18 WO claimed
EP-2451455-A2 RXR AGONIST COMPOUNDS AND METHODS Case Western Reserve University (US) 2012-05-16 EP claimed
WO-2008070230-A2 METHODS AND COMPOSITIONS FOR TREATING CENTRAL NERVOS SYSTEM TUMORS CASE WESTERN RESERVE UNIVERSITY (US) 2008-06-12 WO claimed
WO-2008024749-A2 METHODS AND COMPOSITIONS FOR TREATING ISCHEMIC STROKE CASE WESTERN RESERVE UNIVERSITY (US) 2008-02-28 WO claimed
WO-2007127791-A2 NEW PHARMACOLOGICAL METHOD FOR TREATMENT OF NEUROPATHIC PAIN THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2007-11-08 WO claimed
US-20070249561-A1 Pharmacological method for treatment of neuropathic pain THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2007-10-25 US claimed
WO-2006132928-A2 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION CASE WESTERN RESERVE UNIVERSITY (US) 2006-12-14 WO claimed
US-6579893-B1 Related thiazolidinediones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-06-17 US claimed
EP-0535269-A1 Pharmaceutical compositions containing thiazolidinedione derivatives TANABE SEIYAKU CO., LTD. (JP) 1993-04-07 EP claimed
EP-0283035-B1 BENZOXAZOLE DERIVATIVES AND PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 1991-11-06 EP claimed
US-4897393-A ANTIDIABETIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1990-01-30 US claimed
EP-0283035-A1 Benzoxazole derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1988-09-21 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 (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-20070249561-A1 Pharmacological method for treatment of neuropathic pain PPARG, PPARA, CNR2 FFAR1 167/4885PPARG 1/4885ALDH1A1 1335/4885
US-20140364461-A1 METHOD OF TREATING DERMATOLOGICAL DISORDERS PPARA, PPARG, PPARD FFAR1 375/4885PPARG 2/4885ALDH1A1 484/4885
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG FFAR1 240/4885PPARG 20/4885ALDH1A1 2954/4885

“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.