SCHEMBL218432

SCHEMBL218432

CCOC(=O)/C(Cl)=N\Nc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.64
TP53 P04637 1/20 0.64
ATM Q13315 2/20 0.60
NPC1 O15118 1/20 0.60
MAPT P10636 6/20 0.59
LMNA P02545 5/20 0.59
ALDH1A1 P00352 5/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GPR35 Q9HC97 1/20 0.49
KDM4E B2RXH2 2/20 0.48
THRB P10828 1/20 0.47
ABCB1 P08183 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL218433 1.00 GAA (0.64) GAATP53ATMNPC1MAPT
SCHEMBL7943758 0.87 GAA (0.62) GAATP53ATMNPC1MAPT
SCHEMBL7877752 0.87 GAA (0.62) GAATP53ATMNPC1MAPT
SCHEMBL14019452 0.87 GAA (0.56) GAATP53ATMNPC1MAPT
SCHEMBL20794418 0.87 GAA (0.56) GAATP53ATMNPC1MAPT
SCHEMBL11770571 0.87 GAA (0.56) GAATP53ATMNPC1MAPT
SCHEMBL31597707 0.86 GAA (0.50) GAATP53ATMNPC1MAPT
SCHEMBL20794219 0.85 GAA (0.48) GAATP53ATMNPC1MAPT
SCHEMBL11767984 0.84 GAA (0.47) GAATP53ATMNPC1MAPT
SCHEMBL11767988 0.84 GAA (0.47) GAATP53ATMNPC1MAPT

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 3 patents. 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 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
US-4042706-A Novel anti-inflammatory pyrazole derivatives and preparation thereof SCHERING AKTIENGESELLSCHAFT (DT) 1977-08-16 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-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 GAA 2273/4885TP53 3147/4885ATM 2700/4885

“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.