SCHEMBL9894832

SCHEMBL9894832

CS(=O)(=O)c1ccc(CC(=O)Nc2nc3ccccc3o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.70
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
P2RY14 Q15391 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTGS2 P35354 1/20 0.47
RORC P51449 1/20 0.46
SCD O00767 1/20 0.45
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
GLS O94925 1/20 0.43
SOAT1 P35610 1/20 0.42
WNT3A P56704 1/20 0.42

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
SCHEMBL9895257 0.83 CSNK1D (0.77) CSNK1DROCK2ROCK1TP53NPC1
SCHEMBL9896282 0.81 CSNK1D (0.74) CSNK1DROCK2ROCK1TP53NPC1
SCHEMBL9895215 0.78 NPC1 (0.44) CSNK1DTP53NPC1RAB9ASMN1; SMN2
SCHEMBL9897188 0.78 PTPN2 (0.46) CSNK1DTP53NPC1RAB9ASMN1; SMN2
SCHEMBL1464656 0.78 PTGS2 (0.49) CSNK1DTP53NPC1RAB9ASMN1; SMN2
SCHEMBL9895818 0.77 PTPN1 (0.45) CSNK1DTP53NPC1RAB9ASMN1; SMN2
SCHEMBL9895023 0.77 PTPN1 (0.45) CSNK1DTP53NPC1RAB9ASMN1; SMN2
SCHEMBL9896267 0.76 SMN1; SMN2 (0.42) CSNK1DTP53NPC1RAB9ASMN1; SMN2
SCHEMBL9895379 0.76 PTPN1 (0.48) CSNK1DTP53NPC1RAB9ASMN1; SMN2
SCHEMBL16021385 0.74 CSNK1D (0.67) CSNK1DROCK2ROCK1TP53NPC1

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-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US disclosed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 CSNK1D 2063/4885ROCK2 4499/4885ROCK1 4416/4885

“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.