SCHEMBL216629

SCHEMBL216629

C[C](C)Oc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ELANE P08246 1/20 0.46
HPGD P15428 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
LMNA P02545 3/20 0.42
CYP2A6 P11509 1/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARA Q07869 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
LIPE Q05469 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL76135 0.80 LMNA (0.64) KMT2AMEN1SMN1; SMN2ELANEHPGD
SCHEMBL13893604 0.80 KMT2A (0.43) KMT2AMEN1SMN1; SMN2ELANEHPGD
Hydrochloric Acid SCHEMBL2865040 0.78 KMT2A (0.42) KMT2AMEN1SMN1; SMN2ELANEHPGD
Ammonia Solution, Strong SCHEMBL22437493 0.78 LMNA (0.61) KMT2AMEN1SMN1; SMN2ELANEHPGD
SCHEMBL18184942 0.78 LMNA (0.61) KMT2AMEN1SMN1; SMN2ELANEHPGD
SCHEMBL3870416 0.77 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ELANEHPGD
SCHEMBL8694498 0.77 LMNA (0.45) KMT2AMEN1SMN1; SMN2ELANELMNA
SCHEMBL9035234 0.76 CA1 (0.61) SMN1; SMN2LMNAMAPTCYP1A2CYP3A4
SCHEMBL219002 0.76 LMNA (0.65) KMT2AMEN1LMNAMAPTCYP1A2
SCHEMBL10436311 0.75 SMN1; SMN2 (0.49) KMT2AMEN1SMN1; SMN2ELANEHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US claimed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US claimed
EP-2108012-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-10-14 EP claimed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US claimed
WO-2008099076-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO claimed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP claimed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
US-4650799-A Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1987-03-17 US claimed
US-10289002-B2 Electron beam resist underlayer film-forming composition containing lactone-structure-containing polymer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-05-14 US disclosed
US-10042247-B2 Mask blank, method for manufacturing mask blank and transfer mask HOYA CORPORATION (JP) 2018-08-07 US disclosed
US-20170285460-A1 MASK BLANK, METHOD FOR MANUFACTURING MASK BLANK AND TRANSFER MASK HOYA CORPORATION (JP) 2017-10-05 US disclosed
EP-2984080-B1 NOVEL TRIAZOLINTHIONE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2017-08-30 EP disclosed
EP-2984081-B1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2017-08-09 EP disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
US-4650799-A Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1987-03-17 US disclosed
EP-0140327-A2 Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-08 EP disclosed
US-4434176-A CARDIOVASCULAR DISORDERS SANDOZ LTD. (CH) 1984-02-28 US disclosed
US-4340541-A FOR TREATING CORONARY CONDITIONS AS ANTIARRHYTHMIA AGENTS SANDOZ LTD. (CH) 1982-07-20 US disclosed
US-4080463-A TREATMENT OF CORONARY DISORDERS, ANTIARRHYTHMIA SANDOZ LTD. (CH) 1978-03-21 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 (2 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-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 KMT2A 1197/4885MEN1 1092/4885SMN1; SMN2 742/4885
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 KMT2A 2789/4885MEN1 4386/4885SMN1; SMN2 4671/4885

“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.