SCHEMBL3784987

SCHEMBL3784987

CC(=O)c1cc(N)ccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 3/20 0.43
THRB P10828 2/20 0.43
RECQL P46063 2/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
TNF P01375 1/20 0.43
HSPD1 P10809 1/20 0.43

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
Acetic Acid SCHEMBL27755982 0.89 MAPT (0.43) PTGDR2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3785357 0.89 MAPT (0.41) MEN1KMT2ASMN1; SMN2MAPTTDP1
SCHEMBL3790231 0.88 MCL1 (0.45) SMN1; SMN2MAPTALDH1A1RECQLPKM
Oxalic Acid SCHEMBL27735368 0.88 MAPT (0.42) PTGDR2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3785938 0.86 PTGDR2 (0.50) BCAT2PTGDR2MEN1KMT2ASMN1; SMN2
SCHEMBL2890556 0.85 FOLH1 (0.57) BCAT2PTGDR2MEN1KMT2ASMN1; SMN2
SCHEMBL2935523 0.85 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2MAPTTDP1
SCHEMBL3794623 0.84 BCAT2 (0.63) BCAT2PTGDR2MEN1KMT2AMAPT
SCHEMBL31413664 0.81 SMN1; SMN2 (0.53) BCAT2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5951431 0.81 SMN1; SMN2 (0.53) BCAT2MEN1KMT2ASMN1; SMN2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112717962-A Hydrotreating catalyst and preparation method and application thereof 中国石油化工股份有限公司 2021-04-30 CN 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 BCAT2 372/4885PTGDR2 3672/4885MEN1 174/4885

“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.