SCHEMBL16964546

SCHEMBL16964546

O=C(NCCC(F)(F)F)c1ccc(-n2cc(CCO)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 4/20 0.53
▸ MIF P14174 3/20 0.52
▸ NOTUM Q6P988 4/20 0.48
▸ FOLH1 Q04609 6/20 0.47
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ OPRD1 P41143 1/20 0.42
▸ P2RY14 Q15391 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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 0.91 NOTUM (0.59) DDX3XMIFNOTUMFOLH1MAOA
SCHEMBL19976445 0.87 MIF (0.53) DDX3XMIFNOTUMFOLH1MAOA
SCHEMBL16964548 0.87 DDX3X (0.56) DDX3XMIFFOLH1RAB9ASMN1; SMN2
SCHEMBL16991070 0.86 MIF (0.52) DDX3XMIFNOTUMFOLH1MAOA
SCHEMBL19976510 0.85 FOLH1 (0.47) DDX3XMIFFOLH1
SCHEMBL16964675 0.84 MIF (0.50) DDX3XMIFNOTUMFOLH1MAOA
SCHEMBL19976444 0.82 MIF (0.46) MIFOPRD1P2RY14SIGMAR1GAA
SCHEMBL17000543 0.81 MIF (0.48) MIFMAOAMAOBOPRD1P2RY14
SCHEMBL16964165 0.81 MIF (0.46) MIFFOLH1OPRD1P2RY14SIGMAR1
SCHEMBL16964139 0.80 AR (0.46) MIFOPRD1P2RY14SIGMAR1

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-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 claimed
EP-2900638-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS Université de Droit et de la Santé de Lille 2 (FR) 2015-08-05 — — EP claimed
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-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-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
EP-2900638-B1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS UNIVERSITÉ DE DROIT ET DE LA SANTÉ DE LILLE 2 (FR) 2017-01-04 — — EP disclosed
EP-2900638-B1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS UNIVERSITÉ DE DROIT ET DE LA SANTÉ DE LILLE 2 (FR) 2017-01-04 — — EP 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
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
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
EP-2900638-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS Université de Droit et de la Santé de Lille 2 (FR) 2015-08-05 — — EP 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 DDX3X 4557/4885MIF 2773/4885NOTUM 2272/4885

“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