SCHEMBL14073600

SCHEMBL14073600

O=C1COc2ccc(NC(=O)c3ccnnc3)cc2N1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.59
▸ MAPT P10636 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ POLB P06746 1/20 0.58
▸ CYP3A4 P08684 4/20 0.51
▸ CYP19A1 P11511 4/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ TRPV1 Q8NER1 6/20 0.49
▸ MALT1 Q9UDY8 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ CYP1A2 P05177 4/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ MEN1 O00255 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
SCHEMBL14073852 0.91 CYP3A4 (0.61) KMT2AMAPTALDH1A1POLBCYP3A4
SCHEMBL14073572 0.87 KMT2A (0.63) KMT2AMAPTALDH1A1POLBCYP3A4
SCHEMBL14073571 0.85 ALDH1A1 (0.63) KMT2AMAPTALDH1A1POLBCYP3A4
SCHEMBL8192718 0.84 ALDH1A1 (0.77) KMT2AMAPTALDH1A1POLBTRPV1
SCHEMBL14073594 0.84 CYP2C9 (0.69) KMT2AMAPTALDH1A1POLBCYP3A4
SCHEMBL14073570 0.83 MAPT (0.60) KMT2AMAPTALDH1A1POLBCYP3A4
SCHEMBL14073338 0.81 TSHR (0.64) KMT2AMAPTALDH1A1CYP3A4CYP19A1
SCHEMBL14073031 0.81 ALDH1A1 (0.69) KMT2AMAPTALDH1A1POLBCYP3A4
SCHEMBL14073656 0.80 MAPT (0.64) KMT2AMAPTALDH1A1POLBCYP3A4
SCHEMBL14073579 0.80 KMT2A (0.60) KMT2AMAPTALDH1A1POLBCYP3A4

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 2900/4885MAPT 3986/4885ALDH1A1 714/4885

“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.

Send feedback