SCHEMBL2073935

SCHEMBL2073935

C1=C(n2ccnc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.42
CYP11B1 P15538 3/20 0.42
CYP3A4 P08684 3/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NOTUM Q6P988 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL8724368 0.94 CYP11B2 (0.44) CYP11B2CYP11B1CYP3A4KDM4EALDH1A1
SCHEMBL27883558 0.84
SCHEMBL16323777 0.76 CYP11B2 (0.41) CYP11B2CYP11B1CYP3A4LMNAMAPT
SCHEMBL29026724 0.74
SCHEMBL8724347 0.73 CYP3A4 (0.45) CYP11B2CYP11B1CYP3A4KDM4EALDH1A1
SCHEMBL5601494 0.73 LMNA (0.33) ALDH1A1LMNAMAPT
SCHEMBL5602657 0.71 MAPK1 (0.32) LMNAMAPT
SCHEMBL5603589 0.71 MAPK1 (0.32) LMNAMAPT
SCHEMBL5602957 0.71 MAPK1 (0.32) LMNAMAPT
SCHEMBL5601172 0.71 MAPK1 (0.32) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
CN-101115742-B Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO 2011-06-22 CN disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
CN-101115742-A Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2008-01-30 CN disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 WO disclosed
US-4747868-A Growth-regulating, fungicidal, and herbicidal cyclohexylimidazole and cyclohexenylimidazole derivatives, compositions, and methods of use therefor HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
EP-0199206-A3 CYCLOHEXYL- AND CYCLOHEXENYLIMIDAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT-PROTECTIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed
CN-86102703-A The preparation of cyclohexyl imidazoles and cyclohexenyl imidazolium compounds and as the application of plant protection product 1987-02-04 CN disclosed
CN-86102703-A The preparation of cyclohexyl imidazoles and cyclohexenyl imidazolium compounds and as the application of plant protection product 1987-02-04 CN disclosed
EP-0199206-A2 Cyclohexyl- and cyclohexenylimidazole compounds, process for their preparation and their use as plant-protective agents HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-29 EP 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 CYP11B2 979/4885CYP11B1 567/4885CYP3A4 2408/4885

“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.