SCHEMBL6756743

SCHEMBL6756743

COc1cc(N)cc(-n2cnc(C)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
FGFR1 P11362 3/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 3/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PI4KA P42356 2/20 0.38
PI4K2B Q8TCG2 2/20 0.38
PI4K2A Q9BTU6 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
ESR1 P03372 1/20 0.37

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
SCHEMBL6756935 0.78 ALDH1A1 (0.40) ALDH1A1FGFR1HPGDCYP1A2CYP2D6
SCHEMBL22114467 0.78 FGFR1 (0.59) ALDH1A1FGFR1MAPTHPGDCYP1A2
SCHEMBL6754345 0.76 MEN1 (0.41) ALDH1A1FGFR1MAPTSMN1; SMN2HPGD
SCHEMBL6757787 0.76 ALDH1A1 (0.49) ALDH1A1FGFR1MAPTHPGDCYP1A2
SCHEMBL22143673 0.74 MKNK1 (0.52) ALDH1A1FGFR1MAPTSMN1; SMN2HPGD
SCHEMBL28874167 0.73 ALDH1A1 (0.39) ALDH1A1FGFR1MAPTSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL28874174 0.72 ALDH1A1 (0.38) ALDH1A1FGFR1MAPTSMN1; SMN2HPGD
SCHEMBL30880516 0.72 NR2E1 (0.58) ALDH1A1FGFR1MAPTSMN1; SMN2CYP1A2
SCHEMBL30880770 0.69 CYP1B1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL14320537 0.68 ALDH1A1 (0.42) ALDH1A1FGFR1MAPTSMN1; SMN2HPGD

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-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 ALDH1A1 1144/4885FGFR1 595/4885MAPT 3247/4885

“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.