SCHEMBL3789235

SCHEMBL3789235

NC(=O)c1cc(N)ccc1-c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
THRB P10828 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALOX15 P16050 2/20 0.50
GFER P55789 2/20 0.50
YWHAG P61981 1/20 0.50
HTT P42858 1/20 0.49
BCAT2 O15382 1/20 0.47
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
RECQL P46063 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL28856798 0.89 MAPT (0.45) MAPTMEN1THRBKMT2AHSD17B10
SCHEMBL28202985 0.89 IKBKB (0.51) MAPTMEN1THRBKMT2AHSD17B10
SCHEMBL3551266 0.89 BCAT2 (0.59) MAPTMEN1THRBKMT2AHSD17B10
SCHEMBL3794623 0.89 BCAT2 (0.63) MAPTMEN1THRBKMT2AHSD17B10
SCHEMBL31682597 0.86 BCAT2 (0.44) MAPTMEN1THRBKMT2AHSD17B10
SCHEMBL28203104 0.85 CASP1 (0.52) MAPTMEN1THRBKMT2AHSD17B10
SCHEMBL3896077 0.85 CASP1 (0.52) MAPTMEN1THRBKMT2AHSD17B10
SCHEMBL4582858 0.84 HSD17B10 (0.58) MAPTMEN1THRBKMT2AHSD17B10
SCHEMBL3791222 0.84 BCAT2 (0.47) MAPTMEN1THRBKMT2AHSD17B10
SCHEMBL3792146 0.83 MAP4K4 (0.48) MAPTMEN1THRBKMT2AHSD17B10

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
CN-116925420-A Polyimide aerogel based on cation-pi crosslinking and preparation method thereof, composite aerogel based on polyimide aerogel and preparation method thereof 陕西科技大学 2023-10-24 CN disclosed
US-20130211040-A1 POLYIMIDES AND POLYIMIDE FILMS JFE CHEMICAL CORPORATION (JP) 2013-08-15 US disclosed
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 MAPT 3312/4885MEN1 174/4885THRB 2265/4885

“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.