SCHEMBL24437401

SCHEMBL24437401

CCOC(=O)c1cc(NC(=O)c2nc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cn2C)cn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.47
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
RPS6KA3 P51812 1/20 0.38
MAPT P10636 3/20 0.37
ERBB2 P04626 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TOP1 P11387 2/20 0.35
HRAS P01112 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
HIF1A Q16665 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4011460 0.95 P2RY12 (0.42) P2RY12HDAC1HDAC2HDAC8RPS6KA3
SCHEMBL4015028 0.94 P2RY12 (0.44) P2RY12HDAC1HDAC2HDAC8RPS6KA3
SCHEMBL5004528 0.93 P2RY12 (0.43) P2RY12HDAC1HDAC2HDAC8RPS6KA3
SCHEMBL3417244 0.90 HDAC1 (0.42) P2RY12HDAC1HDAC2HDAC8MAPT
SCHEMBL3934001 0.90 HDAC1 (0.42) P2RY12HDAC1HDAC2HDAC8MAPT
SCHEMBL14072167 0.87 RPS6KA3 (0.39) P2RY12HDAC1HDAC2HDAC8RPS6KA3
SCHEMBL4019734 0.87 HDAC1 (0.43) P2RY12HDAC1HDAC2HDAC8MAPT
SCHEMBL3417386 0.87 ERBB2 (0.43) P2RY12HDAC1HDAC2HDAC8MAPT
SCHEMBL14441974 0.87 ERBB2 (0.43) P2RY12HDAC1HDAC2HDAC8MAPT
SCHEMBL14072171 0.87 P2RY12 (0.39) P2RY12HDAC1HDAC2HDAC8RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153727-A1 METHOD FOR PRODUCING PYRROLE-IMIDAZOLE (POLY)AMIDE KANEKA CORPORATION (JP) 2022-05-19 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-20220153727-A1 METHOD FOR PRODUCING PYRROLE-IMIDAZOLE (POLY)AMIDE DDC, PAM, AADAC P2RY12 2025/4885HDAC1 686/4885HDAC2 961/4885

“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.