SCHEMBL3454068

SCHEMBL3454068

CC(Oc1ccccc1)(C(=O)Nc1cccnc1)c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
RAB9A P51151 7/20 0.51
NAMPT P43490 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 6/20 0.49
TP53 P04637 1/20 0.49
RECQL P46063 1/20 0.49
CYP2D6 P10635 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47

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
SCHEMBL22221563 0.77 CYP1A2 (0.89) CYP1A2CYP3A4CYP2C9CYP2C19CYP11B1
SCHEMBL1823231 0.73 CNR1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19CYP11B1
SCHEMBL1819151 0.72 CNR1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19CYP11B1
SCHEMBL1464914 0.71 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19CYP11B1
SCHEMBL391683 0.71 RAB9A (0.78) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL1817637 0.71 KMT2A (0.43) CYP1A2CYP3A4CYP2C9CYP2C19CYP11B1
SCHEMBL10978857 0.70 CYP11B1 (1.00) CYP11B1CYP11B2RAB9ANAMPTMEN1
SCHEMBL1823516 0.69 PPARA (0.45) CYP1A2CYP3A4CYP2C19RAB9AMEN1
SCHEMBL9190814 0.69 KMT2A (1.00) CYP11B1CYP11B2RAB9ANAMPTMEN1
SCHEMBL8941244 0.69 MEN1 (0.82) CYP1A2CYP3A4CYP2C9CYP2C19CYP11B1

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-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R CYP1A2 2944/4885CYP3A4 2077/4885CYP2C9 1832/4885

“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.