SCHEMBL17876754

SCHEMBL17876754

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N(C)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2C19 P33261 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
TSPO P30536 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
RAB9A P51151 1/20 0.41
CLK1 P49759 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
SCHEMBL17590093 0.91 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL16447434 0.90 CYP2C9 (0.78) CYP2C9CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL17876755 0.86 CYP2C9 (0.62) CYP2C9CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL17876457 0.86 CYP2C9 (0.81) CYP2C9CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL12295308 0.86 CYP2C9 (0.69) CYP2C9CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL12294670 0.85 CYP2C9 (0.74) CYP2C9CYP3A4CYP2C19SMN1; SMN2LMNA
SCHEMBL17876756 0.85 KDM4E (0.67) CYP2C9CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL23655379 0.85 CYP2C9 (0.68) CYP2C9CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL14761075 0.84 CYP2C9 (0.57) CYP2C9CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL12295475 0.83 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4235/4885CYP3A4 2915/4885CYP2C19 4181/4885

“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.