SCHEMBL1736089

SCHEMBL1736089

O=[N+]([O-])c1ccc(-c2nc3cc(Cl)ccc3s2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SENP7 Q9BQF6 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
AGPAT2 O15120 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL12713532 0.80 APP (0.58) GAASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL221512 0.77 CYP2A6 (0.54) SMN1; SMN2NPSR1POLBRAB9ATDP1
SCHEMBL28566787 0.75 CYP2A6 (0.39) GAASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL1736051 0.74 SMN1; SMN2 (0.48) SENP7CASP3SENP8SENP6SMN1; SMN2
SCHEMBL11015235 0.73 EIF4E (0.45) MGAMGAASIMGAM2SENP7
SCHEMBL8532325 0.73 ILK (0.50) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL28567382 0.70 CYP2A6 (0.44) GAASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL10489736 0.70 CYP2A6 (0.54) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL8532265 0.69 MGAM (0.48) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL11014769 0.69 EIF4E (0.46) MGAMGAASIMGAM2AGPAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 MGAM 2185/4885GAA 708/4885SI 251/4885

“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.