SCHEMBL3786605

SCHEMBL3786605

CC(=O)c1ccc(N)cc1-c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 3/20 0.41
GAA P10253 2/20 0.41
ESR2 Q92731 1/20 0.41
PTPN1 P18031 1/20 0.41
USP28 Q96RU2 1/20 0.39
TDP1 Q9NUW8 4/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B1 P14061 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 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
SCHEMBL3785938 0.89 PTGDR2 (0.50) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL3785357 0.85 MAPT (0.41) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL3808754 0.84 MCL1 (0.45) MAPTALDH1A1KDM4EUSP28PTGDR2
SCHEMBL3791222 0.82 BCAT2 (0.47) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL6443680 0.82 ALDH1A1 (0.57) MAPTALDH1A1KDM4ECYP3A4GAA
Acetic Acid SCHEMBL27755982 0.81 MAPT (0.43) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL3803198 0.81 BCAT2 (0.50) MAPTALDH1A1CYP3A4GAATDP1
Oxalic Acid SCHEMBL27735368 0.80 MAPT (0.42) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL29203839 0.80 BCAT2 (0.48) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL1683894 0.80 KDM4E (0.59) MAPTALDH1A1KDM4ECYP3A4GAA

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 MAPT 3312/4885ALDH1A1 4339/4885KDM4E 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.