SCHEMBL17876558

SCHEMBL17876558

CCc1nc2ccc(C(F)(F)F)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.76
CYP2C19 P33261 5/20 0.76
CYP3A4 P08684 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
LMNA P02545 1/20 0.41
GABRD O14764 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA4 P48169 1/20 0.41
SLC2A1 P11166 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PTGER4 P35408 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
SCHEMBL17876470 0.95 CYP2C9 (0.82) CYP2C9CYP2C19CYP3A4SMN1; SMN2HTT
SCHEMBL17876576 0.95 CYP2C9 (0.70) CYP2C9CYP2C19CYP3A4SMN1; SMN2HTT
SCHEMBL17876507 0.92 CYP2C9 (0.77) CYP2C9CYP2C19CYP3A4SMN1; SMN2ACE2
SCHEMBL17876526 0.92 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4SMN1; SMN2CNR1
SCHEMBL17876501 0.92 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4ACE2CA1
SCHEMBL17876716 0.92 CYP2C9 (0.84) CYP2C9CYP2C19CYP3A4SMN1; SMN2HTT
SCHEMBL23655598 0.91 CYP2C9 (0.66) CYP2C9CYP2C19CYP3A4SMN1; SMN2HTT
SCHEMBL12294641 0.90 CYP2C9 (0.64) CYP2C9CYP2C19CYP3A4LMNASLC2A1
SCHEMBL17876466 0.90 CYP2C9 (0.89) CYP2C9CYP2C19CYP3A4SMN1; SMN2HTT
SCHEMBL17876536 0.90 CYP2C9 (0.70) CYP2C9CYP2C19CYP3A4SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.