SCHEMBL3793085

SCHEMBL3793085

NNC(=O)c1ccc(-c2cccc(C(=O)NN)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
HDAC8 Q9BY41 1/20 0.58
CTDSP1 Q9GZU7 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
MPO P05164 1/20 0.52
CYP3A4 P08684 1/20 0.52
KDM5A P29375 1/20 0.52
BLM P54132 1/20 0.52
GFER P55789 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
AOC2 O75106 1/20 0.51
OGG1 O15527 1/20 0.50

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
SCHEMBL25700071 0.92 ALDH1A1 (0.68) ALDH1A1KDM4EHDAC8NPC1RAB9A
SCHEMBL28254875 0.92 ALDH1A1 (0.68) ALDH1A1KDM4EHDAC8NPC1RAB9A
SCHEMBL315040 0.91 HDAC8 (0.70) ALDH1A1KDM4EHDAC8EPHX2NR1H4
SCHEMBL1904111 0.86 ALDH1A1 (0.70) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL1706875 0.84 NPC1 (0.67) ALDH1A1KDM4EHDAC8CTDSP1NPC1
SCHEMBL752600 0.84 MPO (0.70) ALDH1A1KDM4ECTDSP1NPC1RAB9A
SCHEMBL3370418 0.83 MAPK14 (0.48) ALDH1A1KDM4EHDAC8CTDSP1NPC1
Hydrochloric Acid SCHEMBL5804936 0.82 NPC1 (0.64) ALDH1A1KDM4EHDAC8CTDSP1NPC1
SCHEMBL17044693 0.82 MPO (0.61) ALDH1A1KDM4ECTDSP1NPC1RAB9A
SCHEMBL77384 0.82 ALDH1A1 (0.76) ALDH1A1KDM4EHDAC8NPC1RAB9A

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885KDM4E 2606/4885HDAC8 1421/4885

“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.