SCHEMBL14073935

SCHEMBL14073935

O=C1COc2cc(NC(=O)c3ccc4nccnc4c3)ccc2N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.64
▸ SMN1; SMN2 Q16637 6/20 0.64
▸ RAB9A P51151 6/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ GAA P10253 3/20 0.64
▸ TP53 P04637 2/20 0.64
▸ CYP3A4 P08684 4/20 0.56
▸ CYP19A1 P11511 3/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ CYP1A2 P05177 3/20 0.54
▸ POLB P06746 1/20 0.53
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ KLK7 P49862 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL14073656 0.91 MAPT (0.64) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14073886 0.88 CYP3A4 (0.55) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14073931 0.87 CYP3A4 (0.56) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14073830 0.84 NPC1 (0.56) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14073692 0.84 ALDH1A1 (0.72) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14073902 0.83 RAB9A (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14073778 0.83 CYP3A4 (0.61) MAPTSMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL22284873 0.82 CYP3A4 (0.58) MAPTRAB9ANPC1ALDH1A1CYP3A4
SCHEMBL14073031 0.82 ALDH1A1 (0.69) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14073771 0.81 CYP3A4 (0.60) MAPTALDH1A1GAACYP3A4CYP19A1

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 MAPT 3986/4885SMN1; SMN2 3755/4885RAB9A 2232/4885

“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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