SCHEMBL14073923

SCHEMBL14073923

O=C1COc2cc(NC(=O)c3ccc4cc[nH]c4c3)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.54
▸ CYP19A1 P11511 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ MAPT P10636 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ESR1 P03372 5/20 0.53
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TRPV1 Q8NER1 2/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14073760 0.93 MAOA (0.56) CYP3A4CYP19A1CYP2C9MAPTALDH1A1
SCHEMBL14073640 0.91 ALDH1A1 (0.61) MAPTALDH1A1POLBESR1TRPV1
SCHEMBL23769072 0.88 TRPV1 (0.49) CYP3A4CYP19A1CYP2C9MAPTALDH1A1
SCHEMBL29978556 0.88 TRPV1 (0.49) CYP3A4CYP19A1CYP2C9MAPTALDH1A1
SCHEMBL14073692 0.84 ALDH1A1 (0.72) CYP3A4CYP19A1CYP2C9MAPTALDH1A1
SCHEMBL14073544 0.84 MAPT (0.60) MAPTALDH1A1POLBESR1TRPV1
SCHEMBL14073031 0.82 ALDH1A1 (0.69) CYP3A4CYP19A1CYP2C9MAPTALDH1A1
SCHEMBL18770366 0.81 CYP3A4 (0.69) CYP3A4CYP19A1CYP2C9MAPTALDH1A1
SCHEMBL30444601 0.80 KMT2A (0.62) CYP3A4CYP19A1CYP2C9MAPTALDH1A1
SCHEMBL14073830 0.80 NPC1 (0.56) CYP3A4CYP19A1CYP2C9MAPTALDH1A1

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 651/4885CYP2C9 373/4885

“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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