SCHEMBL534334

SCHEMBL534334

Nc1c(NC=O)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.52
CASP7 P55210 1/20 0.52
CASP6 P55212 1/20 0.52
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CDC25B P30305 2/20 0.44
FABP4 P15090 2/20 0.43
MMP2 P08253 1/20 0.43
PKM P14618 2/20 0.42
KDM5A P29375 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL29413047 0.81 ALDH1A1 (0.57) KDM4ENPC1RAB9AHSD17B10FABP4
SCHEMBL501876 0.81 ALDH1A1 (0.57) KDM4ENPC1RAB9AHSD17B10FABP4
SCHEMBL4297093 0.80 ALDH1A1 (0.51) KDM4EHSD17B10CDC25BFABP4MMP2
SCHEMBL5543487 0.80 PBRM1 (0.46) KDM4ENPC1CASP3RAB9ASENP8
SCHEMBL28172203 0.79 NPC1 (0.56) KDM4ENPC1CASP3RAB9ASENP8
SCHEMBL16176968 0.78 G6PD (0.55) G6PDCASP7CASP6KDM4ENPC1
SCHEMBL7590484 0.77 HSD17B10 (0.55) KDM4EHSD17B10CDC25BFABP4PKM
SCHEMBL4075769 0.76 G6PD (0.53) G6PDCASP7CASP6KDM4ENPC1
SCHEMBL1939854 0.76 FABP4 (0.68) G6PDCASP7CASP6KDM4EHSD17B10
SCHEMBL526919 0.76 G6PD (0.74) G6PDCASP7CASP6KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 G6PD 3345/4885CASP7 2320/4885CASP6 1940/4885

“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.