SCHEMBL2837223

SCHEMBL2837223

NC(=O)c1ccc(C2CCC(Cl)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.61
PARP10 Q53GL7 7/20 0.46
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
PARP15 Q460N3 4/20 0.42
PARP2 Q9UGN5 2/20 0.42
DGAT1 O75907 1/20 0.42
PARP14 Q460N5 2/20 0.41
KMT2A Q03164 2/20 0.41
PARP16 Q8N5Y8 1/20 0.41
PARP11 Q9NR21 1/20 0.41
PARP4 Q9UKK3 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
SCHEMBL2762400 0.92 CYP2C9 (0.69) CYP2C9PARP10HDAC8HDAC6HDAC1
Hydrochloric Acid SCHEMBL28200483 0.90 CYP2C9 (0.67) CYP2C9PARP10HDAC8HDAC6HDAC1
SCHEMBL28433038 0.85 CYP2C9 (0.61) CYP2C9PARP10HDAC8HDAC6HDAC1
SCHEMBL17963141 0.84 HDAC8 (0.61) CYP2C9PARP10HDAC8HDAC6HDAC1
SCHEMBL2836940 0.83 CYP2C9 (0.59) CYP2C9PARP10HDAC8HDAC6HDAC1
SCHEMBL18721980 0.83 CYP2C9 (0.64) CYP2C9PARP10HDAC8HDAC6HDAC1
SCHEMBL2744667 0.82 HDAC8 (0.59) CYP2C9PARP10HDAC8HDAC6HDAC1
SCHEMBL21628546 0.81 PARP10 (0.68) CYP2C9PARP10ALDH1A1PARP15PARP2
Hydrochloric Acid SCHEMBL4986176 0.81 HDAC8 (0.58) CYP2C9PARP10HDAC8HDAC6HDAC1
SCHEMBL9258155 0.80 CYP2C9 (0.56) CYP2C9PARP10HDAC8HDAC6HDAC1

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
EP-2170059-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
EP-2170059-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156717-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 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-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CYP2C9 392/4885PARP10 1631/4885HDAC8 98/4885

“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.