SCHEMBL16447474

SCHEMBL16447474

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

nearest known ligand 0.88

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.88
CYP2C19 P33261 5/20 0.88
CYP3A4 P08684 3/20 0.70
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 1/20 0.40
ENPP2 Q13822 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL17876631 0.95 CYP2C9 (0.85) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL17876565 0.94 CYP2C9 (0.76) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL12295272 0.94 CYP2C9 (1.00) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL23655632 0.93 CYP2C9 (0.95) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL17876457 0.92 CYP2C9 (0.81) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL16447418 0.92 CYP2C9 (0.86) CYP2C9CYP2C19CYP3A4SMN1; SMN2HTT
SCHEMBL17876705 0.91 CYP2C9 (0.73) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL16447567 0.91 CYP2C9 (0.92) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL23655629 0.91 CYP2C9 (0.92) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL20346950 0.91 CYP2C9 (0.89) 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 4 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
WO-2015014993-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-02-05 WO 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.