SCHEMBL3728271

SCHEMBL3728271

CNS(=O)(=O)Cc1ccc(C=NC(=O)c2n[nH]cc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
ALPL P05186 5/20 0.34
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RORC P51449 1/20 0.33
CNR1 P21554 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GSK3B P49841 1/20 0.32
CYP17A1 P05093 1/20 0.31
NLRP3 Q96P20 1/20 0.31
LMNA P02545 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL3728268 1.00 MAPT (0.36) MAPTPOLBALPLMAPK1NPC1
SCHEMBL954495 0.81 CNR1 (0.42) MAPTPOLBALPLALDH1A1CNR1
SCHEMBL3944166 0.72 GAA (0.50) MAPTPOLBCNR1
SCHEMBL16310085 0.69 TUBB (0.43) MAPTALPLALDH1A1CNR1GSK3B
SCHEMBL953237 0.67 ALPL (0.52) ALPLNPC1ALDH1A1
SCHEMBL955251 0.66 MAPT (0.52) MAPTPOLBALPLMAPK1NPC1
SCHEMBL7665056 0.63 KDM4E (0.54) NPC1ALDH1A1ALKBH5
SCHEMBL954496 0.63 THRB (0.36) MAPTALPLCNR1PTGDR2DPP4
SCHEMBL955230 0.61 ACE2 (0.48) MAPTALDH1A1CNR1
SCHEMBL4338636 0.59 HSD11B1 (0.47) POLBALPLDPP4DPP8HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825140-B2 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth ASTEX THERAPEUTICS, LTD. (GB) 2010-11-02 US disclosed
US-20080200509-A1 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth ASTEX THERAPEUTICS, LTD. (GB) 2008-08-21 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-20080200509-A1 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth CDK3, CDK4, CDK1 MAPT 2960/4885POLB 1485/4885ALPL 4716/4885

“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.