SCHEMBL3785608

SCHEMBL3785608

CNc1cc(-c2ccccc2)ccc1N

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 14/20 0.62
HDAC1 Q13547 8/20 0.62
HDAC3 O15379 6/20 0.62
HTR6 P50406 1/20 0.51
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IKBKB O14920 1/20 0.46

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
SCHEMBL5605835 0.89 CYP3A4 (0.48) HDAC2HDAC1HDAC3HTR6KDM4E
SCHEMBL3783607 0.86 HDAC2 (0.46) HDAC2HDAC1HDAC3HTR6MEN1
SCHEMBL3784612 0.85 MAP4K4 (0.53) HDAC2HDAC1HDAC3MEN1
SCHEMBL3804750 0.84 MAPT (0.52) HDAC2HDAC1HDAC3HTR6KDM4E
Water SCHEMBL28643226 0.84 HDAC2 (0.45) HDAC2HDAC1HDAC3HTR6MEN1
SCHEMBL19494021 0.83 TDP1 (0.61) HDAC2HDAC1HDAC3HTR6KDM4E
SCHEMBL5604523 0.82 PRKCI (0.47) HDAC2HDAC1HDAC3HTR6KDM4E
SCHEMBL3784073 0.81 ALDH1A1 (0.47) HDAC2HDAC1HDAC3HTR6KDM4E
SCHEMBL13036599 0.81 HDAC2 (0.58) HDAC2HDAC1HDAC3KDM4EMEN1
SCHEMBL13073879 0.79 HDAC1 (0.57) HDAC2HDAC1HDAC3KDM4EMEN1

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 HDAC2 549/4885HDAC1 1686/4885HDAC3 2675/4885

“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.