SCHEMBL3788477

SCHEMBL3788477

CSc1cccc(-c2ccccc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 2/20 0.45
HTR7 P34969 1/20 0.41
ATR Q13535 1/20 0.39
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAPK8 P45983 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
SCHEMBL29634405 1.00 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL9535077 0.98 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL3787018 0.86 KDR (0.38) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL11811627 0.83 ALDH1A1 (0.48) ALDH1A1MAPTHPGDLMNAHSD17B10
SCHEMBL4962525 0.83 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL3793628 0.83 MAP4K4 (0.46) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL30478007 0.81 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL7411224 0.81 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL3789587 0.80 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL3789786 0.79 HTR7 (0.45) ALDH1A1MAPTKDM4ELMNAHSD17B10

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885MAPT 3312/4885KDM4E 2606/4885

“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.