SCHEMBL17876641

SCHEMBL17876641

CCc1nc2cc(C)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.85
CYP2C19 P33261 5/20 0.85
CYP3A4 P08684 3/20 0.68
EPHX2 P34913 2/20 0.42
PDE2A O00408 1/20 0.39
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CRHBP P24387 3/20 0.38
CRHR2 Q13324 3/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23655558 0.94 CYP2C9 (0.76) CYP2C9CYP2C19CYP3A4EPHX2PDE2A
SCHEMBL17876649 0.93 CYP2C9 (0.85) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876676 0.92 CYP2C9 (0.83) CYP2C9CYP2C19CYP3A4EPHX2PDE2A
SCHEMBL12295258 0.92 CYP2C9 (1.00) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876669 0.92 CYP2C9 (0.84) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876660 0.92 CYP2C9 (0.84) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876721 0.92 CYP2C9 (0.84) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL23609459 0.92 CYP2C9 (0.72) CYP2C9CYP2C19CYP3A4EPHX2PDE2A
SCHEMBL17876648 0.91 CYP2C9 (0.72) CYP2C9CYP2C19CYP3A4KDM4EPKM
SCHEMBL17876473 0.90 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235047-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE SHIONOGI & CO., LTD. (JP) 2022-07-28 US disclosed
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 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 (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-20220235047-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE CYC1, MT-CO1, ABCB11 CYP2C9 286/4885CYP2C19 273/4885CYP3A4 222/4885
US-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 CYP2C9 4235/4885CYP2C19 4181/4885CYP3A4 2915/4885

“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.