SCHEMBL16991070

SCHEMBL16991070

O=C(O)Cc1cn(-c2ccc(C(=O)NCCC(F)(F)F)cc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 4/20 0.52
▸ FOLH1 Q04609 6/20 0.47
▸ P2RY14 Q15391 2/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ NME4 O00746 1/20 0.45
▸ GCDH Q92947 1/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45
▸ GLP1R P43220 2/20 0.44
▸ GCGR P47871 2/20 0.44
▸ GIPR P48546 2/20 0.44
▸ NOTUM Q6P988 1/20 0.44
▸ DDX3X O00571 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DGAT1 O75907 1/20 0.40

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
SCHEMBL16963676 0.88 NOTUM (0.59) MIFFOLH1MAOAMAOBNOTUM
SCHEMBL19976445 0.87 MIF (0.53) MIFFOLH1P2RY14OPRD1SIGMAR1
SCHEMBL16964546 0.86 DDX3X (0.53) MIFFOLH1P2RY14OPRD1SIGMAR1
SCHEMBL16964675 0.84 MIF (0.50) MIFFOLH1P2RY14OPRD1SIGMAR1
SCHEMBL17000543 0.84 MIF (0.48) MIFP2RY14OPRD1SIGMAR1MAOA
SCHEMBL16964165 0.83 MIF (0.46) MIFFOLH1P2RY14OPRD1SIGMAR1
SCHEMBL16964548 0.83 DDX3X (0.56) MIFFOLH1GLP1RGCGRGIPR
SCHEMBL19976444 0.82 MIF (0.46) MIFP2RY14OPRD1SIGMAR1NME4
SCHEMBL19976510 0.81 FOLH1 (0.47) MIFFOLH1GLP1RGCGRGIPR
SCHEMBL16964139 0.80 AR (0.46) MIFP2RY14OPRD1SIGMAR1GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920042-B2 Compounds for use in the treatment of mycobacterial infections UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2018-03-20 — — US disclosed
US-20150225388-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2015-08-13 — — 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 (1 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-20150225388-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS C5, ALK, TYR MIF 2773/4885FOLH1 4392/4885P2RY14 3350/4885

“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.

Send feedback