SCHEMBL6353285

SCHEMBL6353285

O=C(NCc1ccccc1)c1[nH]c2ccccc2c1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.72
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 1/20 0.63
MAP2 P11137 1/20 0.60
EGFR P00533 1/20 0.56
SRC P12931 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RXFP1 Q9HBX9 1/20 0.54
IMPDH2 P12268 1/20 0.52
MAPT P10636 1/20 0.52
CNR2 P34972 1/20 0.50
PIN1 Q13526 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49

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
SCHEMBL6356091 0.86 ALDH1A1 (0.74) GAAKDM4EALDH1A1HPGDMAP2
SCHEMBL7566685 0.84 GAA (1.00) GAAKDM4EALDH1A1HPGDMAP2
SCHEMBL2735926 0.82 MAP2 (0.62) GAAKDM4EALDH1A1HPGDMAP2
SCHEMBL18092612 0.82 MEN1 (0.76) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL2760048 0.81 MAP2 (0.60) GAAKDM4EALDH1A1MAP2SRC
SCHEMBL2735930 0.80 MAP2 (0.59) GAAKDM4EALDH1A1HPGDMAP2
SCHEMBL9212419 0.79 GAA (0.62) GAAKDM4EALDH1A1HPGDMAP2
SCHEMBL2735915 0.79 MAP2 (0.61) GAAKDM4EALDH1A1HPGDMAP2
SCHEMBL2735923 0.79 ALDH1A1 (0.60) GAAKDM4EALDH1A1HPGDMAP2
SCHEMBL14081988 0.78 MAP2 (0.57) GAAKDM4EALDH1A1HPGDMAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040111-A2 COMBINATORIAL LIBRARY OF 3-ARYL-1H-INDOLE-2-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (DE) 2005-05-06 WO disclosed
US-20050089936-A1 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid amides CAI JIANPING (US) 2005-04-28 US disclosed
EP-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP 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-20050089936-A1 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid amides AADAC, KYNU, AANAT GAA 3010/4885KDM4E 2933/4885ALDH1A1 104/4885

“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.