SCHEMBL22679409

SCHEMBL22679409

CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 19/20 0.77
▸ ABCG2 Q9UNQ0 4/20 0.77
▸ CYP19A1 P11511 4/20 0.77
▸ ABCB11 O95342 3/20 0.77
▸ CYP8B1 Q9UNU6 3/20 0.77
▸ CYP17A1 P05093 3/20 0.77
▸ CYP2C9 P11712 2/20 0.77
▸ CYP11B1 P15538 2/20 0.77
▸ CYP11B2 P19099 2/20 0.77
▸ PTGS2 P35354 1/20 0.77
▸ LMNA P02545 3/20 0.68
▸ CYP51A1 Q16850 3/20 0.68
▸ MAPT P10636 3/20 0.68
▸ MAPK1 P28482 3/20 0.68
▸ FYN P06241 2/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ ABCB1 P08183 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ CXCR1 P25024 1/20 0.68

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
SCHEMBL14340035 1.00 CYP3A4 (0.77) CYP3A4ABCG2CYP19A1ABCB11CYP8B1
SCHEMBL6752594 0.93 ABCG2 (0.80) CYP3A4ABCG2CYP19A1ABCB11CYP8B1
SCHEMBL7456690 0.93 ABCG2 (0.80) CYP3A4ABCG2CYP19A1ABCB11CYP8B1
SCHEMBL6752596 0.93 ABCG2 (0.80) CYP3A4ABCG2CYP19A1ABCB11CYP8B1
SCHEMBL6812825 0.93 ABCG2 (0.80) CYP3A4ABCG2CYP19A1ABCB11CYP8B1
SCHEMBL6752603 0.93 ABCG2 (0.80) CYP3A4ABCG2CYP19A1ABCB11CYP8B1
Itraconzole SCHEMBL65702 0.93 CYP3A4 (0.79) CYP3A4ABCG2CYP19A1ABCB11CYP8B1
Itraconzole SCHEMBL17739437 0.93 CYP3A4 (0.79) CYP3A4ABCG2CYP19A1ABCB11CYP8B1
Itraconzole SCHEMBL2615053 0.93 CYP3A4 (0.79) CYP3A4ABCG2CYP19A1ABCB11CYP8B1
Saperconazole SCHEMBL65701 0.93 CYP3A4 (0.79) CYP3A4ABCG2CYP19A1ABCB11CYP8B1

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-11225463-B2 Compositions and methods for the treatment of oral infectious diseases CELLIX BIO PRIVATE LIMITED (IN) 2022-01-18 — — US disclosed
US-20200361874-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ORAL INFECTIOUS DISEASES CELLIX BIO PRIVATE LIMITED (IN) 2020-11-19 — — 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 (2 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-20200361874-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ORAL INFECTIOUS DISEASES SI, HBG1, HBG2 CYP3A4 18/4885ABCG2 496/4885CYP19A1 1239/4885
US-11225463-B2 Compositions and methods for the treatment of oral infectious diseases SI, HBG1, HBG2 CYP3A4 18/4885ABCG2 496/4885CYP19A1 1239/4885

“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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