SCHEMBL17876458

SCHEMBL17876458

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
CYP2C9 P11712 7/20 0.54
RXFP1 Q9HBX9 1/20 0.53
CYP3A4 P08684 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP2C19 P33261 5/20 0.51
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PPARG P37231 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL17876429 0.92 CYP2C9 (0.59) THRBCYP2C9RXFP1CYP3A4SMN1; SMN2
SCHEMBL17876523 0.91 CYP2C9 (0.54) THRBCYP2C9CYP3A4SMN1; SMN2LMNA
SCHEMBL17876479 0.91 CYP2C9 (0.54) THRBCYP2C9RXFP1CYP3A4SMN1; SMN2
SCHEMBL17876461 0.91 CYP2C9 (0.54) THRBCYP2C9RXFP1CYP3A4SMN1; SMN2
SCHEMBL17876462 0.91 CYP2C9 (0.54) THRBCYP2C9CYP3A4MEN1KMT2A
SCHEMBL17876456 0.90 CYP2C9 (0.55) THRBCYP2C9CYP3A4SMN1; SMN2LMNA
SCHEMBL17876472 0.90 CYP2C9 (0.57) THRBCYP2C9CYP3A4SMN1; SMN2LMNA
SCHEMBL17876468 0.90 CYP2C9 (0.68) THRBCYP2C9RXFP1CYP3A4MEN1
SCHEMBL17876464 0.89 CYP2C9 (0.61) THRBCYP2C9CYP3A4SMN1; SMN2LMNA
SCHEMBL17876503 0.89 CYP2C9 (0.64) THRBCYP2C9RXFP1CYP3A4LMNA

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 THRB 2747/4885CYP2C9 4235/4885RXFP1 4454/4885

“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.