SCHEMBL14073772

SCHEMBL14073772

O=C1COc2cc(NC(=O)c3ccccn3)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ PKM P14618 1/20 0.61
▸ CYP3A4 P08684 3/20 0.57
▸ CYP19A1 P11511 3/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KMT2A Q03164 1/20 0.55
▸ CYP1A2 P05177 2/20 0.52
▸ GRM4 Q14833 3/20 0.51
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MALT1 Q9UDY8 1/20 0.48
▸ KIF11 P52732 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
SCHEMBL14073568 0.91 KMT2A (0.67) NPC1RAB9ASMN1; SMN2PKMCYP2C9
SCHEMBL14073919 0.84 CYP3A4 (0.56) NPC1RAB9ASMN1; SMN2PKMCYP3A4
SCHEMBL14073934 0.84 ROCK2 (0.57) NPC1RAB9ASMN1; SMN2PKMCYP3A4
SCHEMBL14073920 0.84 CYP3A4 (0.57) NPC1RAB9ASMN1; SMN2PKMCYP3A4
SCHEMBL14073898 0.84 CYP3A4 (0.59) NPC1RAB9ASMN1; SMN2PKMCYP3A4
SCHEMBL14073844 0.84 CYP3A4 (0.55) NPC1RAB9ASMN1; SMN2CYP3A4CYP19A1
SCHEMBL14073832 0.83 KMT2A (0.57) CYP3A4CYP19A1CYP2C9ALDH1A1MAPT
SCHEMBL30444601 0.83 KMT2A (0.62) NPC1RAB9ACYP3A4CYP19A1CYP2C9
SCHEMBL14073784 0.82 MAPT (0.64) NPC1RAB9ASMN1; SMN2CYP3A4CYP19A1
SCHEMBL14073674 0.82 KMT2A (0.56) CYP3A4CYP19A1CYP2C9ALDH1A1MAPT

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 NPC1 2740/4885RAB9A 2232/4885SMN1; SMN2 3755/4885

“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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