SCHEMBL1610230

SCHEMBL1610230

O=C(NCc1cccs1)c1nc(C2CC2)nc(NCc2cccs2)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.53
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
RAB9A P51151 3/20 0.50
HPGD P15428 5/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL1610085 0.86 CHRM3 (0.55) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610233 0.82 CHRM3 (0.51) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610059 0.80 PDE10A (0.57) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610417 0.79 SMN1; SMN2 (0.48) RAB9AHPGDTSHRKMT2APOLB
SCHEMBL1609486 0.76 CHRM3 (0.57) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1611084 0.71 PDE10A (0.60) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610317 0.70 SMN1; SMN2 (0.42) TSHRKMT2APOLBSMN1; SMN2MEN1
SCHEMBL1610521 0.69 AURKA (0.43) TSHRKMT2APOLBSMN1; SMN2MEN1
SCHEMBL1609744 0.69 PDE10A (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609687 0.68 PDE10A (0.45) CHRM3PDE4APDE4BPDE4CPDE4D

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
WO-2019227771-A1 SUBSTITUTED PYRIMIDINE-4-FORMIC ACID DERIVATIVE, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 (CN) 2019-12-05 WO disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 CHRM3 2705/4885PDE4A 1115/4885PDE4B 1132/4885

“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.