SCHEMBL16447602

SCHEMBL16447602

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.66
CYP3A4 P08684 3/20 0.65
CYP2C19 P33261 5/20 0.58
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAPT P10636 1/20 0.41
ROS1 P08922 1/20 0.41
ALK Q9UM73 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
PTGER4 P35408 1/20 0.40
NPC1 O15118 1/20 0.40
GFER P55789 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
SCHEMBL23655813 0.94 CYP2C9 (0.58) CYP2C9CYP3A4CYP2C19LMNASMN1; SMN2
SCHEMBL17876545 0.93 CYP2C9 (0.69) CYP2C9CYP3A4CYP2C19ROS1ALK
SCHEMBL23655816 0.92 CYP2C9 (0.57) CYP2C9CYP3A4CYP2C19LMNASMN1; SMN2
SCHEMBL17876479 0.92 CYP2C9 (0.54) CYP2C9CYP3A4CYP2C19LMNASMN1; SMN2
SCHEMBL17876519 0.90 CYP2C9 (0.68) CYP2C9CYP3A4CYP2C19LMNASMN1; SMN2
SCHEMBL17876674 0.90 CYP2C9 (0.68) CYP2C9CYP3A4CYP2C19LMNASMN1; SMN2
SCHEMBL17876572 0.90 CYP2C9 (0.53) CYP2C9CYP3A4CYP2C19LMNASMN1; SMN2
SCHEMBL17876468 0.90 CYP2C9 (0.68) CYP2C9CYP3A4CYP2C19CRHBPCRHR2
SCHEMBL12295465 0.90 CYP2C9 (0.62) CYP2C9CYP3A4CYP2C19LMNASMN1; SMN2
SCHEMBL17876592 0.89 CYP2C9 (0.72) CYP2C9CYP3A4CYP2C19LMNACRHBP

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 4235/4885CYP3A4 2915/4885CYP2C19 4181/4885

“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.