SCHEMBL13487581

SCHEMBL13487581

CC(C)(C)c1cc(NCC(=O)c2ccccc2)c(C(=O)N2CCC2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
AGTR1 P30556 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK14 Q16539 3/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
STK25 O00506 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 3/20 0.37
AKR1C3 P42330 1/20 0.36
GRIN2B Q13224 1/20 0.35
USP2 O75604 2/20 0.35

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
SCHEMBL13487580 0.84 AGTR1 (0.50) RAB9AAGTR1KDM4EMAPK14HPGD
SCHEMBL13487583 0.73 MAPK14 (0.49) MAPK14ALDH1A1SMN1; SMN2MAPTSTK25
SCHEMBL13315133 0.70 ALDH1A1 (0.43) RAB9AHPGDALDH1A1SMN1; SMN2STK25
SCHEMBL13315134 0.69 MEN1 (0.42) KDM4EMAPK14HPGDALDH1A1SMN1; SMN2
SCHEMBL13315141 0.65 MAPT (0.43) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL1263133 0.63 HPGD (0.88) HPGDALDH1A1SMN1; SMN2USP2
SCHEMBL2614241 0.61 HPGD (0.84) HPGDALDH1A1SMN1; SMN2USP2
SCHEMBL5320792 0.61 RAB9A (0.65) RAB9AAGTR1KDM4EHPGDALDH1A1
SCHEMBL4409746 0.61 HPGD (0.66) HPGDALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL254870 0.60 HPGD (0.96) HPGDALDH1A1USP2

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-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 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-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 RAB9A 2804/4885AGTR1 2911/4885KDM4E 2770/4885

“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.