SCHEMBL14073702

SCHEMBL14073702

Nc1cnccc1C(=O)Nc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.58
▸ CYP19A1 P11511 5/20 0.58
▸ CYP2C9 P11712 3/20 0.58
▸ CYP1A2 P05177 4/20 0.53
▸ KMT2A Q03164 1/20 0.51
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ ROCK2 O75116 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.42
▸ NSD2 O96028 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
SCHEMBL14073699 0.92 CYP3A4 (0.58) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073480 0.92 KMT2A (0.62) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073478 0.83 KMT2A (0.62) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073778 0.82 CYP3A4 (0.61) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073674 0.81 KMT2A (0.56) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073783 0.81 CYP3A4 (0.70) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073725 0.80 CYP3A4 (0.62) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073716 0.79 GRM4 (0.51) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073769 0.78 CYP3A4 (0.52) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A
SCHEMBL14073832 0.77 KMT2A (0.57) CYP3A4CYP19A1CYP2C9CYP1A2KMT2A

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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