SCHEMBL729527

SCHEMBL729527

Oc1ccn(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.51
ABL1 P00519 1/20 0.48
SIGMAR1 Q99720 13/20 0.46

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
SCHEMBL7096905 0.84 KMT2A (0.41)
SCHEMBL12967879 0.84 NPC1 (0.43) SIGMAR1
SCHEMBL2384190 0.79 ALDH1A1 (0.47) NOTUMSIGMAR1
SCHEMBL2615992 0.78 NOTUM (0.51) NOTUMABL1SIGMAR1
SCHEMBL1357584 0.78 NOTUM (0.51) NOTUMABL1SIGMAR1
SCHEMBL12789222 0.77 KDM1A (0.41) NOTUMABL1
SCHEMBL29000076 0.77 ALDH1A1 (0.46) NOTUMSIGMAR1
SCHEMBL30354367 0.77 ALDH1A1 (0.46) NOTUMSIGMAR1
SCHEMBL3264830 0.76 POLB (0.55) NOTUM
SCHEMBL30264085 0.76 POLB (0.55) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003322-B Pyrazole ether compound as well as preparation method and application thereof 南通泰禾化工股份有限公司 2024-05-31 CN disclosed
CN-116003322-A Pyrazole ether compound as well as preparation method and application thereof 南通泰禾化工股份有限公司 2023-04-25 CN disclosed
WO-2023284761-A1 PYRAZOLE ETHER COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南通泰禾化工股份有限公司 2023-01-19 WO disclosed
WO-2023284761-A1 PYRAZOLE ETHER COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南通泰禾化工股份有限公司 2023-01-19 WO disclosed
CN-105061322-B The preparation method of the 3- hydroxypyrazoles compounds of N- substitutions 北京颖泰嘉和生物科技股份有限公司 2018-07-24 CN disclosed
EP-1996580-B1 PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
EP-1996580-B1 PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
CN-105061322-A Preparation method of N-substituted 3-hydroxypyrazole compound BEIJING NUTRICHEM CO LTD 2015-11-18 CN disclosed
US-8470867-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-25 US disclosed
US-8470867-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-25 US disclosed
US-20080125416-A1 Sigma Receptor Inhibitors ESTEVE PHARMACEUTICALS, S.A. (ES) 2008-05-29 US disclosed
WO-2007098964-A2 PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-09-07 WO disclosed
WO-2007098964-A2 PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-09-07 WO disclosed
EP-1829873-A1 Pyrrazole derivatives as sigma receptors antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP disclosed
EP-1829873-A1 Pyrrazole derivatives as sigma receptors antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP disclosed
EP-1781618-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-09 EP disclosed
WO-2006021462-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO disclosed
WO-2006021462-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO disclosed
EP-0946514-B1 METHOD FOR PRODUCING N-SUBSTITUTED 3-HYDROXYPYRAZOLES BASF AG (DE) 2003-05-02 EP disclosed
US-6040458-A Method for producing N-substituted 3-hydroxypyrazoles BASF AKTIENGESELLSCHAFT (DE) 2000-03-21 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-20080125416-A1 Sigma Receptor Inhibitors SIGMAR1, TMEM97, OPRL1 NOTUM 1466/4885ABL1 1130/4885SIGMAR1 1/4885

“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.