SCHEMBL2597348

SCHEMBL2597348

CC(C)COC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.64
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
GAA P10253 2/20 0.53
MAPT P10636 6/20 0.52
MGLL Q99685 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 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
SCHEMBL763026 0.91 HTR2A (0.64) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL27355874 0.90 HTR2A (0.60) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL21097206 0.88 HTR2A (0.61) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL7411825 0.88 HTR2A (0.61) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL12355356 0.88 HTR2A (0.61) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL7412947 0.88 HTR2A (0.57) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL15760497 0.86 HTR2A (0.58) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL18458538 0.86 HTR2A (0.58) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL6600772 0.85 HTR2A (0.61) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL31639396 0.85 HTR2A (0.57) HTR2ABCL9CTNNB1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011875-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-06-15 EP disclosed
EP-3710438-B1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-10-20 EP disclosed
EP-2571862-B1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MAN CO LTD (JP) 2014-04-16 EP disclosed
US-8536343-B2 Arylamidine derivative, salt thereof and antifungal agent containing those TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-8536343-B2 Arylamidine derivative, salt thereof and antifungal agent containing those TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-8536343-B2 Arylamidine derivative, salt thereof and antifungal agent containing those TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-8436009-B2 Prodrug of triazolone compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-07 US disclosed
EP-2571862-A1 PRODRUG OF TRIAZOLONE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-03-27 EP disclosed
US-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-28 US disclosed
US-8173157-B2 Pharmaceutical composition comprising phenylamidine derivative and method of using the pharmaceutical composition in combination with antifungal agent TOYAMA CHEMICAL CO., LTD. (JP) 2012-05-08 US disclosed
EP-1967190-B1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO LTD (JP) 2010-08-04 EP disclosed
US-20100098750-A1 PHARMACEUTICAL COMPOSITION COMPRISING PHENYLAMIDINE DERIVATIVE AND METHOD OF USING THE PHARMACEUTICAL COMPOSITION IN COMBINATION WITH ANTIFUNGAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100098750-A1 PHARMACEUTICAL COMPOSITION COMPRISING PHENYLAMIDINE DERIVATIVE AND METHOD OF USING THE PHARMACEUTICAL COMPOSITION IN COMBINATION WITH ANTIFUNGAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100098750-A1 PHARMACEUTICAL COMPOSITION COMPRISING PHENYLAMIDINE DERIVATIVE AND METHOD OF USING THE PHARMACEUTICAL COMPOSITION IN COMBINATION WITH ANTIFUNGAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2070536-A1 PHARMACEUTICAL COMPOSITION COMPRISING PHENYLAMIDINE DERIVATIVE AND METHOD OF USING THE PHARMACEUTICAL COMPOSITION IN COMBINATION WITH ANTIFUNGAL AGENT Toyama Chemical Co., Ltd. (JP) 2009-06-17 EP disclosed
EP-1967190-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2008-09-10 EP disclosed
WO-2004002985-A1 PEPTIDIC THROMBIN INHIBITOR COMPOUND LG LIFE SCIENCES LTD. (KR) 2004-01-08 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-20100098750-A1 PHARMACEUTICAL COMPOSITION COMPRISING PHENYLAMIDINE DERIVATIVE AND METHOD OF USING THE PHARMACEUTICAL COMPOSITION IN COMBINATION WITH ANTIFUNGAL AGENT PFN1, ACR, PDXK HTR2A 4372/4885BCL9 4498/4885CTNNB1 4818/4885
US-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND F7, TFPI, TFPI2 HTR2A 3114/4885BCL9 2680/4885CTNNB1 3862/4885
US-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE ERG28, DPM1, NAT1 HTR2A 4237/4885BCL9 2659/4885CTNNB1 4861/4885

“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.