SCHEMBL3338694

SCHEMBL3338694

CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(SCC5COC(Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 16/20 0.64
▸ ABCG2 Q9UNQ0 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ ABCB11 O95342 2/20 0.64
▸ CYP8B1 Q9UNU6 2/20 0.64
▸ FYN P06241 2/20 0.64
▸ CYP51A1 Q16850 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ ABCB1 P08183 1/20 0.64
▸ CXCR1 P25024 1/20 0.64
▸ TACR1 P25103 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ AVPR2 P30518 1/20 0.64
▸ CCR4 P51679 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ CYP17A1 P05093 1/20 0.55
▸ CYP19A1 P11511 1/20 0.55

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
SCHEMBL1722991 0.94 CYP3A4 (0.56) CYP3A4ABCG2LMNAMAPTABCB11
SCHEMBL1723511 0.94 CYP3A4 (0.57) CYP3A4ABCG2LMNAMAPTABCB11
SCHEMBL3336892 0.91 CYP3A4 (0.53) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL4149722 0.90 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL1650334 0.90 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL29371736 0.90 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Saperconazole SCHEMBL65701 0.90 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL17739437 0.90 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL65702 0.90 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL2615053 0.90 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143455-A1 Triazole antifungal agents WU NIAN 2010-06-10 — — 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-20100143455-A1 Triazole antifungal agents CYP3A7, ERG28, UGT1A7 CYP3A4 33/4885ABCG2 25/4885LMNA 4116/4885

“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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