SCHEMBL14073571

SCHEMBL14073571

O=C1COc2ccc(NC(=O)c3cccnc3)cc2N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.63
▸ RAB9A P51151 5/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ TP53 P04637 1/20 0.63
▸ KMT2A Q03164 3/20 0.61
▸ CYP1A2 P05177 3/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ CYP19A1 P11511 3/20 0.59
▸ MAPT P10636 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ MALT1 Q9UDY8 2/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ KCNK3 O14649 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CA12 O43570 1/20 0.51

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
SCHEMBL14073783 0.91 CYP3A4 (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL14073572 0.86 KMT2A (0.63) ALDH1A1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL14073600 0.85 KMT2A (0.59) ALDH1A1KMT2ACYP1A2CYP3A4CYP19A1
SCHEMBL8192718 0.83 ALDH1A1 (0.77) ALDH1A1KMT2AMAPTPOLBTRPV1
SCHEMBL14073594 0.83 CYP2C9 (0.69) ALDH1A1KMT2ACYP1A2CYP3A4CYP19A1
SCHEMBL14073570 0.82 MAPT (0.60) ALDH1A1KMT2ACYP1A2CYP3A4CYP19A1
SCHEMBL14073604 0.82 ROCK2 (0.60) ALDH1A1KMT2ACYP1A2CYP3A4CYP19A1
SCHEMBL14073285 0.82 HPGD (0.65) ALDH1A1NPC1CYP1A2CYP3A4CYP19A1
SCHEMBL4264640 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP19A1MAPT
SCHEMBL23143601 0.81 RAB9A (0.61) ALDH1A1RAB9ANPC1SMN1; SMN2TP53

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 ALDH1A1 714/4885RAB9A 2232/4885NPC1 2740/4885

“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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