SCHEMBL17876589

SCHEMBL17876589

CCc1nc2c(C)cccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.62
CYP2C19 P33261 5/20 0.62
CYP3A4 P08684 3/20 0.60
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.40
THRB P10828 2/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL17876492 0.94 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4KDM4ETHRB
SCHEMBL17876708 0.94 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4KDM4EALDH1A1
SCHEMBL17876661 0.94 CYP2C9 (0.72) CYP2C9CYP2C19CYP3A4THRBMAPT
SCHEMBL16447598 0.93 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4KDM4EALDH1A1
SCHEMBL17876429 0.92 CYP2C9 (0.59) CYP2C9CYP2C19CYP3A4KDM4EALDH1A1
SCHEMBL17876605 0.92 CYP2C9 (0.65) CYP2C9CYP2C19CYP3A4KDM4EALDH1A1
SCHEMBL17876432 0.92 CYP2C9 (0.62) CYP2C9CYP2C19CYP3A4KDM4EALDH1A1
SCHEMBL17876461 0.91 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4KDM4EALDH1A1
SCHEMBL17876590 0.91 CYP2C9 (0.58) CYP2C9CYP2C19CYP3A4KDM4EALDH1A1
SCHEMBL23655779 0.91 CYP2C9 (0.57) CYP2C9CYP2C19CYP3A4KDM4EALDH1A1

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-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.