SCHEMBL13428802

SCHEMBL13428802

CCOC(=O)c1cnc(NCC(=O)NCc2ccc(F)cc2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.59
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 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
SCHEMBL13428812 0.90 P2RY12 (0.51) P2RY12ALDH1A1POLBHPGDL3MBTL1
SCHEMBL8182974 0.88 P2RY12 (0.50) P2RY12ALDH1A1POLBHPGDCA12
SCHEMBL3224840 0.83 P2RY12 (0.49) P2RY12L3MBTL1MAPTLMNA
SCHEMBL13428475 0.81 CA12 (0.44) ALDH1A1POLBHPGDCA12CA1
SCHEMBL13428471 0.80 CA12 (0.45) ALDH1A1POLBHPGDCA12CA1
SCHEMBL8185683 0.78 KMT2A (0.48) P2RY12ALDH1A1POLBHPGDL3MBTL1
SCHEMBL3217492 0.78 P2RY12 (0.48) P2RY12L3MBTL1MAPT
SCHEMBL3233534 0.76 P2RY12 (0.46) P2RY12HPGDL3MBTL1MAPTKDM4E
SCHEMBL13428572 0.76 AKR1C3 (0.44) ALDH1A1POLBHPGDCA12CA1
SCHEMBL3923575 0.74 P2RY12 (1.00) P2RY12

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 P2RY12 4610/4885ALDH1A1 1516/4885POLB 580/4885

“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.