SCHEMBL17876565

SCHEMBL17876565

CCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.76
CYP2C19 P33261 5/20 0.76
CYP3A4 P08684 3/20 0.62
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.41
ENPP2 Q13822 1/20 0.41
CLK1 P49759 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 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
SCHEMBL17876575 0.96 CYP2C9 (0.73) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL17876631 0.95 CYP2C9 (0.85) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL17876665 0.95 CYP2C9 (0.72) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL17876546 0.95 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL17876705 0.94 CYP2C9 (0.73) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL17876431 0.94 CYP2C9 (0.72) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL16447474 0.94 CYP2C9 (0.88) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL17876598 0.94 CYP2C9 (0.72) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL17876667 0.93 CYP2C9 (0.74) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL17876574 0.93 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2

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.