SCHEMBL14073674

SCHEMBL14073674

Nc1ncccc1C(=O)Nc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.56
▸ CYP3A4 P08684 4/20 0.56
▸ CYP19A1 P11511 3/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ PRKCI P41743 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ VCP P55072 3/20 0.50
▸ GRM5 P41594 1/20 0.47
▸ MALT1 Q9UDY8 2/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KIF11 P52732 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 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
SCHEMBL14073451 0.92 KMT2A (0.68) KMT2ACYP3A4CYP19A1CYP2C9PRKCI
SCHEMBL14073832 0.88 KMT2A (0.57) KMT2ACYP3A4CYP19A1CYP2C9CYP1A2
SCHEMBL14073885 0.86 KMT2A (0.55) KMT2ACYP3A4CYP19A1CYP2C9CYP1A2
SCHEMBL14073716 0.85 GRM4 (0.51) KMT2ACYP3A4CYP19A1CYP2C9CYP1A2
SCHEMBL14073769 0.85 CYP3A4 (0.52) KMT2ACYP3A4CYP19A1CYP2C9PRKCI
SCHEMBL14073772 0.82 NPC1 (0.61) KMT2ACYP3A4CYP19A1CYP2C9CYP1A2
SCHEMBL14073725 0.82 CYP3A4 (0.62) KMT2ACYP3A4CYP19A1CYP2C9CYP1A2
SCHEMBL14073699 0.81 CYP3A4 (0.58) KMT2ACYP3A4CYP19A1CYP2C9CYP1A2
SCHEMBL14073702 0.81 CYP3A4 (0.58) KMT2ACYP3A4CYP19A1CYP2C9CYP1A2
SCHEMBL14073592 0.80 KMT2A (0.69) KMT2ACYP3A4CYP19A1CYP2C9CYP1A2

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 KMT2A 2900/4885CYP3A4 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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