SCHEMBL14073725

SCHEMBL14073725

Nc1n[nH]cc1C(=O)Nc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.62
▸ CYP19A1 P11511 3/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ KMT2A Q03164 1/20 0.52
▸ CYP1A2 P05177 2/20 0.47
▸ TRPV1 Q8NER1 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GRM5 P41594 1/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42

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
SCHEMBL14073504 0.91 KMT2A (0.63) CYP3A4CYP19A1CYP2C9KMT2ACYP1A2
SCHEMBL14073674 0.82 KMT2A (0.56) CYP3A4CYP19A1CYP2C9KMT2ACYP1A2
SCHEMBL24508699 0.80 CYP3A4 (0.54) CYP3A4CYP19A1CYP2C9KMT2ACYP1A2
SCHEMBL14073845 0.80 CYP3A4 (0.82) CYP3A4CYP19A1CYP2C9KMT2ACYP1A2
SCHEMBL14073699 0.80 CYP3A4 (0.58) CYP3A4CYP19A1CYP2C9KMT2ACYP1A2
SCHEMBL14073702 0.80 CYP3A4 (0.58) CYP3A4CYP19A1CYP2C9KMT2ACYP1A2
SCHEMBL24508666 0.80 CYP3A4 (0.58) CYP3A4CYP19A1CYP2C9KMT2ACYP1A2
SCHEMBL14073769 0.79 CYP3A4 (0.52) CYP3A4CYP19A1CYP2C9KMT2ACYP1A2
SCHEMBL18770343 0.77 CYP3A4 (0.80) CYP3A4CYP19A1CYP2C9KMT2ACYP1A2
SCHEMBL14073898 0.76 CYP3A4 (0.59) CYP3A4CYP19A1CYP2C9KMT2ACYP1A2

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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