SCHEMBL2696087

SCHEMBL2696087

NC(=O)c1nccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ASPH Q12797 1/20 0.46
KDM8 Q8N371 1/20 0.46
OPRM1 P35372 1/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
BRAF P15056 2/20 0.34
CDC7 O00311 2/20 0.34
DBF4 Q9UBU7 2/20 0.34
MET P08581 1/20 0.33
ADORA2A P29274 1/20 0.33
BTK Q06187 1/20 0.33
DGAT1 O75907 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
Formic Acid SCHEMBL2588636 0.93 KDM4E (0.41) KDM4EASPHKDM8OPRM1IDO1
SCHEMBL15555561 0.81 KDM4E (0.47) KDM4EASPHKDM8MAPTCES2
SCHEMBL644769 0.81 KDM4E (0.68) KDM4EASPHKDM8MAPTCES2
SCHEMBL28299885 0.80 KDM4E (0.43) KDM4EASPHKDM8OPRM1IDO1
SCHEMBL28098526 0.79 KDM4E (0.37) KDM4EASPHKDM8
Hydrochloric Acid SCHEMBL20599691 0.78 KDM4E (0.36) KDM4EASPHKDM8
SCHEMBL17785403 0.76 IKBKB (0.46) KDM4EASPHKDM8OPRM1HTT
SCHEMBL319270 0.75 MAPT (0.49) KDM4EMAPTHTTL3MBTL1MKNK1
SCHEMBL32683865 0.74 OPRM1 (0.43) KDM4EASPHKDM8OPRM1IDO1
Hydrochloric Acid SCHEMBL18694922 0.73 MAPT (0.47) KDM4EMAPTHTTL3MBTL1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107240-A1 Probes and methods of melanoma imaging THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-05-03 US claimed
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 US disclosed
EP-3600312-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
WO-2018183145-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 WO disclosed
US-20150023877-A1 METHODS OF PARKINSONS DISEASE DIAGNOSIS AND MONITORING TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-01-22 US disclosed
US-20120107240-A1 Probes and methods of melanoma imaging THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-05-03 US disclosed
US-20120107240-A1 Probes and methods of melanoma imaging THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-05-03 US disclosed
WO-2010013794-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-04 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-20150023877-A1 METHODS OF PARKINSONS DISEASE DIAGNOSIS AND MONITORING TREATMENT PARK7, SNCA, COMT KDM4E 3989/4885ASPH 2607/4885KDM8 4342/4885
US-20120107240-A1 Probes and methods of melanoma imaging TYR, MC1R, MCHR1 KDM4E 3244/4885ASPH 1658/4885KDM8 3283/4885
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase TPH2, TPH1, IDO2 KDM4E 1127/4885ASPH 273/4885KDM8 447/4885

“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.