SCHEMBL1306747

SCHEMBL1306747

NCCn1ccnc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.69
PLAA Q9Y263 1/20 0.46
ALPG P10696 1/20 0.45
PDE6D O43924 4/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
BRD4 O60885 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 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
Hydrochloric Acid SCHEMBL10366282 0.98 ESR1 (0.67) ESR1PLAAALPGPDE6DCYP3A4
SCHEMBL462620 0.90 ESR1 (0.60) ESR1PLAAALPGPDE6DCYP3A4
SCHEMBL8910757 0.88 ESR1 (0.59) ESR1PLAAALPGPDE6DCYP3A4
SCHEMBL28039002 0.86 ESR1 (0.64) ESR1PLAAALPGPDE6DCYP3A4
SCHEMBL27850097 0.85 ESR1 (0.58) ESR1PLAAALPGPDE6DCYP3A4
SCHEMBL7095574 0.85 ESR1 (0.68) ESR1PLAAALPGPDE6DCYP3A4
SCHEMBL4395520 0.82 ESR1 (0.78) ESR1PLAAALPGPDE6DCYP3A4
SCHEMBL9444420 0.82 ESR1 (0.64) ESR1PLAAALPGPDE6DCYP3A4
SCHEMBL17219702 0.82 ESR1 (0.64) ESR1PLAAALPGPDE6DCYP3A4
SCHEMBL20083767 0.82 ESR1 (0.64) ESR1PLAAALPGPDE6DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239246-B1 NOVEL IMIDAZOLE COMPOUNDS, PROCESS FOR SYNTHESIS THEREOF, AND METHOD OF CURING EPOXY RESINS USING SAID COMPOUNDS SHIKOKU CHEMICALS CORPORATION (JP) 1990-05-16 EP claimed
EP-0239246-A1 Novel imidazole compounds, process for synthesis thereof, and method of curing epoxy resins using said compounds SHIKOKU CHEMICALS CORPORATION (JP) 1987-09-30 EP claimed
CN-107614619-B Thermosetting material and cured product 积水化学工业株式会社 2023-05-09 CN disclosed
EP-2563123-B1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2018-04-25 EP disclosed
US-9540338-B2 Substituted cinnamic acid amides for treating pain NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-20150322024-A1 Cinnamic Acid Amide Derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
EP-2940003-A1 CINNAMIC ACID AMIDE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2015-11-04 EP disclosed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO disclosed
EP-1644320-B1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-7265246-B2 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-20070060587-A1 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-03-15 US disclosed
EP-0239246-B1 NOVEL IMIDAZOLE COMPOUNDS, PROCESS FOR SYNTHESIS THEREOF, AND METHOD OF CURING EPOXY RESINS USING SAID COMPOUNDS SHIKOKU CHEMICALS CORPORATION (JP) 1990-05-16 EP disclosed
US-4826991-A Production of 1-aminoethyl-imidazoles via the hydrolysis of 1-acylaminoethylimidazoles SHIKOKU CHEMICALS CORPORATION (JP) 1989-05-02 US disclosed
EP-0239246-A1 Novel imidazole compounds, process for synthesis thereof, and method of curing epoxy resins using said compounds SHIKOKU CHEMICALS CORPORATION (JP) 1987-09-30 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 (3 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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 ESR1 908/4885PLAA 4141/4885ALPG 4269/4885
US-20070060587-A1 Indane derivates as muscarinic receptor agonists CHRM1, CHRM3, CHRM2 ESR1 767/4885PLAA 4127/4885ALPG 4725/4885
US-20150322024-A1 Cinnamic Acid Amide Derivative OPRL1, TRPV1, TRPA1 ESR1 2114/4885PLAA 2805/4885ALPG 4110/4885

“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.