SCHEMBL14073594

SCHEMBL14073594

O=C1COc2ccc(NC(=O)c3cn[nH]c3)cc2N1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP19A1 P11511 1/20 0.69
▸ MAPT P10636 4/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ POLB P06746 1/20 0.63
▸ KMT2A Q03164 2/20 0.61
▸ GAA P10253 1/20 0.51
▸ TRPV1 Q8NER1 8/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MALT1 Q9UDY8 1/20 0.47

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
SCHEMBL14073845 0.91 CYP3A4 (0.82) CYP2C9CYP3A4CYP19A1MAPTALDH1A1
SCHEMBL8192718 0.86 ALDH1A1 (0.77) MAPTALDH1A1POLBKMT2AGAA
SCHEMBL14073572 0.84 KMT2A (0.63) CYP2C9CYP3A4CYP19A1MAPTALDH1A1
SCHEMBL14073600 0.84 KMT2A (0.59) CYP2C9CYP3A4CYP19A1MAPTALDH1A1
SCHEMBL14073031 0.83 ALDH1A1 (0.69) CYP2C9CYP3A4CYP19A1MAPTALDH1A1
SCHEMBL18770343 0.83 CYP3A4 (0.80) CYP2C9CYP3A4CYP19A1MAPTALDH1A1
SCHEMBL14073570 0.83 MAPT (0.60) CYP2C9CYP3A4CYP19A1MAPTALDH1A1
SCHEMBL14073571 0.83 ALDH1A1 (0.63) CYP2C9CYP3A4CYP19A1MAPTALDH1A1
SCHEMBL18770356 0.82 CYP3A4 (1.00) CYP2C9CYP3A4CYP19A1MAPTALDH1A1
SCHEMBL14073692 0.81 ALDH1A1 (0.72) CYP2C9CYP3A4CYP19A1MAPTALDH1A1

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 CYP2C9 373/4885CYP3A4 376/4885CYP19A1 651/4885

“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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