SCHEMBL220091

SCHEMBL220091

C[C](C)Oc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.44
PTK2B Q14289 1/20 0.43
BCHE P06276 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CXCL8 P10145 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HCRTR2 O43614 1/20 0.38
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL27638035 0.84 LMNA (0.46) LMNATSHRMAPTPTK2BBCHE
SCHEMBL29816549 0.82 PTGS2 (0.57) LMNATSHRMAPTPTK2BBCHE
SCHEMBL198168 0.82 PTGS2 (0.57) LMNATSHRMAPTPTK2BBCHE
Hydrochloric Acid SCHEMBL27807985 0.80 PTGS2 (0.55) LMNATSHRMAPTPTK2BBCHE
SCHEMBL3363649 0.80 PTGS2 (0.55) LMNATSHRMAPTPTK2BBCHE
Acetic Acid SCHEMBL27757829 0.79 PTGS2 (0.58) LMNATSHRMAPTPTK2BBCHE
SCHEMBL5790498 0.79 MAPT (0.46) LMNATSHRMAPTPTK2BBCHE
Nitrogen SCHEMBL27921682 0.79 PTGS2 (0.53) LMNATSHRMAPTPTK2BBCHE
SCHEMBL964110 0.77 ELANE (0.49) LMNATSHRMAPTPTK2BBCHE
SCHEMBL2947498 0.76 PTK2B (0.51) LMNATSHRMAPTPTK2BBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO 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-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 LMNA 912/4885TSHR 1491/4885MAPT 3121/4885

“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.