SCHEMBL4251315

SCHEMBL4251315

COC(=O)c1ccn2nc(C(=O)OC)c(C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35

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
SCHEMBL4251318 0.92 GAA (0.38) NPSR1ALDH1A1KMT2APOLBKDM4E
SCHEMBL21001663 0.72 KDM4E (0.45) NPSR1ALDH1A1KMT2APOLBKDM4E
SCHEMBL15231246 0.72 KDM4E (0.42) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL15232471 0.68 PCSK9 (0.43) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL23554846 0.67 NPSR1 (0.50) NPSR1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL29549957 0.67 NPSR1 (0.50) NPSR1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL21014290 0.67 KDM4E (0.42) NPSR1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL26126052 0.67 KDM4E (0.38) ALDH1A1KMT2APOLBKDM4EMAPT
SCHEMBL7515477 0.67 JMJD6 (0.53) ALDH1A1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL9107846 0.66 DHODH (0.52) ALDH1A1POLBKDM4EMAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102211-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-23 — — EP disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 — — US disclosed
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 — — WO disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — 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 (2 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 NPSR1 489/4885ALDH1A1 3954/4885KMT2A 2718/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 NPSR1 1145/4885ALDH1A1 2279/4885KMT2A 3625/4885

“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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