SCHEMBL3337498

SCHEMBL3337498

C[C@H](N)C(=O)Nc1ccccc1-c1nc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ MAPT P10636 5/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ AGPAT2 O15120 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL10005080 0.86 CASP3 (0.55) KDM4EPOLBTP53MAPTRAB9A
SCHEMBL10005077 0.86 MAPT (0.53) KDM4EPOLBTP53USP2MAPT
Hydrochloric Acid SCHEMBL10921109 0.83 ALDH1A1 (0.55) KDM4ETP53MAPTRAB9ANPC1
SCHEMBL9045395 0.83 HSD17B10 (0.56) HSD17B10KDM4EPOLBTP53USP2
SCHEMBL10005071 0.83 MAPT (0.51) HSD17B10KDM4EPOLBTP53USP2
SCHEMBL9042363 0.83 RAB9A (0.63) HSD17B10KDM4EPOLBTP53MAPT
SCHEMBL29874275 0.81 TP53 (0.76) HSD17B10KDM4EPOLBTP53USP2
SCHEMBL3345659 0.80 HSD17B10 (0.55) HSD17B10KDM4EPOLBTP53USP2
SCHEMBL10004971 0.79 HSD17B10 (0.54) HSD17B10KDM4EPOLBTP53USP2
SCHEMBL10291489 0.75 ALDH1A1 (0.51) HSD17B10KDM4ETP53USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471944-B1 Novel peptidase substrates BIOMERIEUX SA (FR) 2016-09-14 — — EP disclosed
EP-2155892-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2015-03-18 — — EP disclosed
EP-1924357-B1 CARBONYLATION METHOD BY ADDING SECONDARY STERICALLY HINDERED AMINES EVONIK DEGUSSA GMBH (DE) 2015-03-18 — — EP disclosed
US-8216800-B2 Substrates for detecting peptidase activity and methods using the substrates BIOMERIEUX (FR) 2012-07-10 — — US disclosed
EP-2471944-A1 Novel peptidase substrates bioMérieux (FR) 2012-07-04 — — EP disclosed
US-20100099128-A1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX (FR) 2010-04-22 — — US disclosed
EP-2155892-A2 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX (FR) 2010-02-24 — — EP disclosed
WO-2008152306-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2008-12-18 — — WO 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-20100099128-A1 NOVEL PEPTIDASE SUBSTRATES XPNPEP1, DPEP1, DDAH1 HSD17B10 1530/4885KDM4E 2868/4885POLB 3410/4885

“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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