SCHEMBL1723501

SCHEMBL1723501

CC(C)n1ncn(-c2ccc(N3CCN(c4ccc(SCC5COC(Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 16/20 0.67
▸ ABCG2 Q9UNQ0 3/20 0.67
▸ ABCB11 O95342 2/20 0.67
▸ CYP8B1 Q9UNU6 2/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ CYP17A1 P05093 1/20 0.67
▸ CYP19A1 P11511 1/20 0.67
▸ CYP11B1 P15538 1/20 0.67
▸ CYP11B2 P19099 1/20 0.67
▸ PTGS2 P35354 1/20 0.67
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ FYN P06241 2/20 0.45
▸ CYP51A1 Q16850 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ CXCR1 P25024 1/20 0.45
▸ TACR1 P25103 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ AVPR2 P30518 1/20 0.45

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
SCHEMBL1723344 0.94 CYP3A4 (0.69) CYP3A4ABCG2ABCB11CYP8B1CYP2C9
SCHEMBL1723625 0.93 CYP3A4 (0.68) CYP3A4ABCG2ABCB11CYP8B1CYP2C9
SCHEMBL3334427 0.93 CYP3A4 (0.64) CYP3A4ABCG2ABCB11CYP8B1CYP2C9
SCHEMBL3340498 0.93 CYP3A4 (0.64) CYP3A4ABCG2ABCB11CYP8B1CYP2C9
SCHEMBL1687950 0.88 CYP3A4 (0.84) CYP3A4ABCG2ABCB11CYP8B1CYP2C9
SCHEMBL13302816 0.87 CYP3A4 (0.55) CYP3A4ABCG2ABCB11CYP8B1CYP2C9
SCHEMBL13302803 0.87 CYP3A4 (0.55) CYP3A4ABCG2ABCB11CYP8B1CYP2C9
SCHEMBL1724025 0.87 CYP3A4 (0.56) CYP3A4ABCG2ABCB11CYP8B1CYP2C9
SCHEMBL1723716 0.86 CYP3A4 (0.62) CYP3A4ABCG2ABCB11CYP8B1CYP2C9
SCHEMBL1723511 0.86 CYP3A4 (0.57) CYP3A4ABCG2ABCB11CYP8B1CYP2C9

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-2343980-A1 TRIAZOLE ANTIFUNGAL AGENTS Wu, Nian (US) 2011-07-20 — — EP disclosed
US-20100143455-A1 Triazole antifungal agents WU NIAN 2010-06-10 — — US disclosed
WO-2010027496-A1 TRIAZOLE ANTIFUNGAL AGENTS WU NIAN (US) 2010-03-11 — — 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-20100143455-A1 Triazole antifungal agents CYP3A7, ERG28, UGT1A7 CYP3A4 33/4885ABCG2 25/4885ABCB11 199/4885

“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.

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