SCHEMBL2490264

SCHEMBL2490264

ClCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.48
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ENPP2 Q13822 1/20 0.36
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
KCNN4 O15554 1/20 0.33
NR1I2 O75469 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TRPM2 O94759 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
NR3C1 P04150 1/20 0.33
ERBB2 P04626 1/20 0.33
TP53 P04637 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL7988290 0.98 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2MEN1
SCHEMBL8165853 0.95 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2MEN1
SCHEMBL7159342 0.92 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2MEN1
Hydrochloric Acid SCHEMBL9531432 0.91 SIRT2 (0.48) SIRT2CYP11B1CYP11B2ENPP2MEN1
SCHEMBL1309013 0.86 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2CYP2C9
SCHEMBL2796109 0.86 SIRT2 (0.52) SIRT2CYP11B1CYP11B2CYP19A1
SCHEMBL2032778 0.86 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL759 0.85 SIRT2 (0.45) SIRT2CYP11B1CYP11B2ENPP2MEN1
SCHEMBL4682888 0.85 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL7987099 0.85 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2NMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2014291-B1 Piperazinone compounds as anti-tumor and anti-cancer agents UNIV YALE (US) 2011-10-26 EP disclosed
US-7763620-B2 Piperazinone compounds as anti-tumor and anti-cancer agents and methods of treatment YALE UNIVERSITY (US) 2010-07-27 US disclosed
EP-1427418-B1 PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS UNIV YALE (US) 2009-11-11 EP disclosed
EP-2014291-A2 Piperazinone compounds as anti-tumor and anti-cancer agents and methods of treatment YALE UNIVERSITY (US) 2009-01-14 EP disclosed
US-20080221123-A1 Piperazinone Compounds as Anti-Tumor and Anti-Cancer Agents and Methods of Treatment YALE UNIVERSITY 2008-09-11 US disclosed
CN-1188407-C Imidazole derivatives with inhabiting activity to transterasa and preparing method thereof LG CHEMICAL LTD (KR) 2005-02-09 CN disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
CN-1279680-A Imidazole derivatives having farnesyl transferase inhibitory activity and process for producing the same LG CHEMICAL LTD (KR) 2001-01-10 CN disclosed
US-5840725-A Substituted oximes, hydrazones and olefins as neurokinin antagonists SCHERING CORPORATION (US) 1998-11-24 US disclosed
US-5696267-A ANTIHISTAMINES; ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS SCHERING CORPORATION (US) 1997-12-09 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 (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-20080221123-A1 Piperazinone Compounds as Anti-Tumor and Anti-Cancer Agents and Methods of Treatment EP300, HDAC5, VHL SIRT2 353/4885CYP11B1 2182/4885CYP11B2 2272/4885

“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.