SCHEMBL1198352

SCHEMBL1198352

O=C(O)c1cnn(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
KDM4E B2RXH2 4/20 0.75
ALDH1A1 P00352 3/20 0.75
CRHBP P24387 1/20 0.66
MC4R P32245 1/20 0.66
CRHR2 Q13324 1/20 0.66
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.63
ATM Q13315 1/20 0.60
GAA P10253 2/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55

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
SCHEMBL4822460 0.88 MEN1 (0.79) MEN1KMT2AKDM4EALDH1A1CRHBP
SCHEMBL1198925 0.86 KDM4E (1.00) MEN1KMT2AKDM4EALDH1A1CRHBP
SCHEMBL12875507 0.85 MEN1 (0.75) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL27827193 0.85 KDM4E (0.83) MEN1KMT2AKDM4EALDH1A1CRHBP
SCHEMBL1198576 0.85 KDM4E (0.83) MEN1KMT2AKDM4EALDH1A1CRHBP
SCHEMBL1198638 0.85 KDM4E (0.83) MEN1KMT2AKDM4EALDH1A1CRHBP
SCHEMBL4823291 0.84 KDM4E (0.81) MEN1KMT2AKDM4EALDH1A1CRHBP
SCHEMBL1198614 0.84 KDM4E (0.81) MEN1KMT2AKDM4EALDH1A1CRHBP
SCHEMBL1198885 0.84 KDM4E (0.81) MEN1KMT2AKDM4EALDH1A1CRHBP
SCHEMBL14224480 0.84 MEN1 (0.72) MEN1KMT2AKDM4EALDH1A1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 CN disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP disclosed
US-7358267-B2 Bis-aryl thiazole derivatives AMGEN INC. (US) 2008-04-15 US disclosed
US-7358267-B2 Bis-aryl thiazole derivatives AMGEN INC. (US) 2008-04-15 US disclosed
US-7358267-B2 Bis-aryl thiazole derivatives AMGEN INC. (US) 2008-04-15 US disclosed
US-20050215608-A1 Bis-aryl thiazole derivatives AMGEN INC. 2005-09-29 US disclosed
WO-2003002062-A2 BIS-ARYL THIAZOLE DERIVATIVES TULARIK INC. (US) 2003-01-09 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 (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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A MEN1 2661/4885KMT2A 3197/4885KDM4E 1877/4885
US-20050215608-A1 Bis-aryl thiazole derivatives FABP4, PC, TXNRD2 MEN1 4816/4885KMT2A 4093/4885KDM4E 3696/4885

“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.