SCHEMBL17876456

SCHEMBL17876456

CCc1nc2c(F)cccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.55
CYP2C19 P33261 5/20 0.54
CYP3A4 P08684 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PPARG P37231 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL17876441 0.92 CYP2C9 (0.60) CYP2C9CYP2C19CYP3A4SMN1; SMN2LMNA
SCHEMBL17876490 0.91 CYP2C9 (0.57) CYP2C9CYP2C19CYP3A4KDM4EL3MBTL1
SCHEMBL12295712 0.91 CYP2C9 (0.65) CYP2C9CYP2C19CYP3A4SMN1; SMN2KDM4E
SCHEMBL17876674 0.91 CYP2C9 (0.68) CYP2C9CYP2C19CYP3A4SMN1; SMN2LMNA
SCHEMBL17876523 0.90 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4SMN1; SMN2LMNA
SCHEMBL17876458 0.90 THRB (0.57) CYP2C9CYP2C19CYP3A4SMN1; SMN2LMNA
SCHEMBL17876479 0.90 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4SMN1; SMN2LMNA
SCHEMBL17876454 0.90 CYP2C9 (0.56) CYP2C9CYP2C19CYP3A4SMN1; SMN2LMNA
SCHEMBL17876472 0.90 CYP2C9 (0.57) CYP2C9CYP2C19CYP3A4SMN1; SMN2LMNA
SCHEMBL17876484 0.89 CYP2C9 (0.65) CYP2C9CYP2C19CYP3A4SMN1; SMN2LMNA

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.