SCHEMBL14073783

SCHEMBL14073783

O=C1COc2cc(NC(=O)c3cccnc3)ccc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.70
▸ CYP19A1 P11511 5/20 0.70
▸ CYP1A2 P05177 4/20 0.70
▸ RAB9A P51151 6/20 0.63
▸ NPC1 O15118 5/20 0.63
▸ ALDH1A1 P00352 5/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ TP53 P04637 1/20 0.63
▸ CYP2C9 P11712 3/20 0.60
▸ CYP11B1 P15538 1/20 0.58
▸ CYP11B2 P19099 1/20 0.58
▸ CYP2C19 P33261 2/20 0.57
▸ CYP2D6 P10635 1/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ KCNK3 O14649 1/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51

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
SCHEMBL14073571 0.91 ALDH1A1 (0.63) CYP3A4CYP19A1CYP1A2RAB9ANPC1
SCHEMBL14073778 0.86 CYP3A4 (0.61) CYP3A4CYP19A1CYP1A2RAB9AALDH1A1
SCHEMBL30444601 0.86 KMT2A (0.62) CYP3A4CYP19A1CYP1A2RAB9ANPC1
SCHEMBL14073852 0.85 CYP3A4 (0.61) CYP3A4CYP19A1CYP1A2RAB9ANPC1
SCHEMBL22284858 0.85 CYP3A4 (0.63) CYP3A4CYP19A1CYP1A2RAB9ANPC1
SCHEMBL30444662 0.85 CYP3A4 (0.63) CYP3A4CYP19A1CYP1A2RAB9ANPC1
SCHEMBL29478290 0.83 CYP3A4 (1.00) CYP3A4CYP19A1CYP1A2RAB9ANPC1
SCHEMBL18770307 0.83 CYP3A4 (1.00) CYP3A4CYP19A1CYP1A2RAB9ANPC1
SCHEMBL14073845 0.83 CYP3A4 (0.82) CYP3A4CYP19A1CYP1A2ALDH1A1CYP2C9
SCHEMBL14073771 0.82 CYP3A4 (0.60) CYP3A4CYP19A1CYP1A2ALDH1A1CYP2C9

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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 CYP3A4 376/4885CYP19A1 651/4885CYP1A2 415/4885

“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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