SCHEMBL10242244

SCHEMBL10242244

O=C1NCC(c2ccccc2Cl)O1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.46
SLC6A2 P23975 5/20 0.44
LDHA P00338 1/20 0.43
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.43
HTR6 P50406 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL16064832 1.00 SLC6A3 (0.46) SLC6A3SLC6A2LDHATP53RECQL
SCHEMBL13394483 0.81 PKM (0.50) SLC6A2ALDH1A1HPGDHSD17B10USP2
SCHEMBL20840266 0.81 ALDH1A1 (0.40) SLC6A3SLC6A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL20840268 0.81 ALDH1A1 (0.40) SLC6A3SLC6A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL4554616 0.77 HTR2C (0.44) TP53
SCHEMBL2899162 0.76 HSD17B10 (0.47) ALDH1A1HPGDHSD17B10USP2KDM4E
SCHEMBL4429 0.76 HSD17B10 (0.47) ALDH1A1HPGDHSD17B10USP2KDM4E
SCHEMBL8809819 0.76 HSD17B10 (0.47) ALDH1A1HPGDHSD17B10USP2KDM4E
SCHEMBL2901706 0.73 SLC6A3 (0.46) SLC6A3SLC6A2
SCHEMBL2722147 0.73 SLC6A3 (0.46) SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 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 (3 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP SLC6A3 4844/4885SLC6A2 4437/4885LDHA 4404/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP SLC6A3 4844/4885SLC6A2 4437/4885LDHA 4404/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP SLC6A3 4844/4885SLC6A2 4437/4885LDHA 4404/4885

“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.