SCHEMBL662447

SCHEMBL662447

COCCc1ccc(Cl)c(C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.40
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
ERN1 O75460 3/20 0.35
CA2 P00918 1/20 0.35
PNMT P11086 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ENPP2 Q13822 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
VCAM1 P19320 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR1E P28566 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL19497328 0.81 MEN1 (0.47) ALDH1A1TDP1ERN1TAAR1
SCHEMBL26109028 0.80 TUBB1 (0.48) CDK1HPGDALDH1A1TDP1TSHR
SCHEMBL27836800 0.78 PTPN1 (0.43) CDK1TSHR
SCHEMBL16771200 0.78 PNMT (0.55) HPGDALDH1A1TSHRPNMTTAAR1
SCHEMBL695591 0.78 TDP1 (0.44) CDK1HPGDALDH1A1TDP1TSHR
SCHEMBL1246997 0.77 CDK1 (0.47) CDK1ALDH1A1TDP1TSHRERN1
SCHEMBL320553 0.77 TDP1 (0.41) CDK1HPGDALDH1A1TDP1ERN1
SCHEMBL91283 0.76 GPR84 (0.44) HPGDALDH1A1TSHRCA2PNMT
SCHEMBL662439 0.75 KDM4E (0.46) ALDH1A1TDP1ERN1
SCHEMBL8037422 0.75 GPR84 (0.41) HPGDALDH1A1TDP1TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 CDK1 2431/4885HPGD 559/4885ALDH1A1 2104/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT CDK1 1465/4885HPGD 523/4885ALDH1A1 2078/4885

“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.