SCHEMBL1040045

SCHEMBL1040045

CC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SIRT2 Q8IXJ6 14/20 0.39
ENPP2 Q13822 1/20 0.37
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL670904 0.87 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1SIRT2ENPP2
SCHEMBL5682164 0.87 CYP11B1 (0.43) CYP11B1CYP11B2SIRT2ENPP2KMT2A
SCHEMBL9488291 0.85 CYP11B1 (0.37) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL9488294 0.85 CYP11B1 (0.37) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL9488286 0.85 CYP11B1 (0.37) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL28422181 0.84 ADA (0.47) CYP11B1CYP11B2SIRT2ENPP2MAPT
SCHEMBL693097 0.84 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2ENPP2MAPT
SCHEMBL1414845 0.83 SIRT2 (0.41) CYP11B1CYP11B2ALDH1A1SIRT2ENPP2
SCHEMBL1829222 0.83 SIRT2 (0.47) ALDH1A1SIRT2KDM4EMAPTKMT2A
SCHEMBL28415779 0.83 BRD4 (0.40) CYP11B1CYP11B2SIRT2ENPP2

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4729516-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2026-04-22 EP disclosed
CN-119979476-A Hybridoma cell strain secreting clotrimazole monoclonal antibody and application thereof 江南大学 2025-05-13 CN disclosed
WO-2024260319-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恩华药业股份有限公司 2024-12-26 WO disclosed
WO-2024240240-A1 IMIDAZOLE DERIVATIVES, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恩华药业股份有限公司 2024-11-28 WO disclosed
CN-112979552-B Preparation method of high-purity dexmedetomidine hydrochloride 广安凯特制药有限公司 2024-08-13 CN disclosed
CN-112979552-A Preparation method of high-purity dexmedetomidine hydrochloride 广安凯特制药有限公司 2021-06-18 CN disclosed
EP-2888259-B1 DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE NOVARTIS AG (CH) 2018-03-07 EP disclosed
US-20170305903-A1 DIAZEPINONE DERIVATIVES NOVARTIS AG (CH) 2017-10-26 US disclosed
US-20170305903-A1 DIAZEPINONE DERIVATIVES NOVARTIS AG (CH) 2017-10-26 US disclosed
US-20170305903-A1 DIAZEPINONE DERIVATIVES NOVARTIS AG (CH) 2017-10-26 US disclosed
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US disclosed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 EP disclosed
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-5243043-A Cephalosporin antibiotics and bactericides ROUSSEL UCLAF (FR) 1993-09-07 US disclosed
EP-0338939-B1 HISTAMINE DERIVATIVE, PROCESS FOR HIS PREPARATION AND HIS THERAPEUTIC APPLICATION INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-01-27 EP disclosed
US-5034539-A Histamine derivative, process for preparing it and its therapeutic use INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1991-07-23 US disclosed
US-4992431-A Bactericides or antibiotics ROUSSELUCLAF (FR) 1991-02-12 US disclosed
EP-0338939-A1 Histamine derivative, process for his preparation and his therapeutic application INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1989-10-25 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 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-20170305903-A1 DIAZEPINONE DERIVATIVES ADRB1, ADRB2, BRD4 CYP11B1 25/4885CYP11B2 13/4885ALDH1A1 482/4885

“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.