SCHEMBL6793173

SCHEMBL6793173

CCC1Cc2c(n[nH]c2C(=O)O)-c2ccc(O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALPL P05186 2/20 0.43
CLK1 P49759 1/20 0.43
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 3/20 0.39
GLA P06280 2/20 0.39
CYP2C9 P11712 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
GAA P10253 1/20 0.39
NR1I2 O75469 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6795143 0.90 CCNA2 (0.39) MEN1KMT2AKDM4EHSD17B10ALPL
SCHEMBL6791807 0.89 KDM4E (0.40) MEN1KMT2AKDM4EHSD17B10ALPL
SCHEMBL6792195 0.84 MEN1 (0.46) MEN1KMT2AKDM4EHSD17B10ALPL
SCHEMBL6792845 0.79 CCNA2 (0.37) MEN1KMT2AKDM4EHSD17B10ALPL
SCHEMBL6793178 0.72 KDM4E (0.53) MEN1KMT2AKDM4EHSD17B10ALPL
SCHEMBL6795109 0.71 MEN1 (0.69) MEN1KMT2AKDM4EHSD17B10ALPL
SCHEMBL6793273 0.70 KDM4E (0.47) MEN1KMT2AKDM4EHSD17B10ALPL
SCHEMBL6792881 0.69 MEN1 (0.58) MEN1KMT2AKDM4EHSD17B10ALPL
SCHEMBL6793956 0.68 MEN1 (0.43) MEN1KMT2AKDM4EHSD17B10ALPL
SCHEMBL6800372 0.65 HCAR2 (0.43) HCAR2GRK6CHEK1

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MEN1 1382/4885KMT2A 1257/4885KDM4E 2167/4885

“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.