SCHEMBL6404428

SCHEMBL6404428

C=CC(O)c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
HIF1A Q16665 2/20 0.36
CA3 P07451 1/20 0.36
THRB P10828 1/20 0.36
CA6 P23280 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 3/20 0.33
CYP19A1 P11511 3/20 0.33
APP P05067 2/20 0.33
TP53 P04637 1/20 0.33
MASP2 O00187 1/20 0.31
PLAU P00749 1/20 0.31

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
SCHEMBL28646387 0.81 TYR (0.43) HRH3ALDH1A1HIF1AMAPK1SMN1; SMN2
SCHEMBL387119 0.78 ESR1 (0.44) MAPTMEN1KMT2AHRH3ALDH1A1
SCHEMBL3885072 0.76 ORAI1 (0.42) HRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4905102 0.76 ORAI1 (0.42) MAPTMEN1KMT2AHRH3ALDH1A1
SCHEMBL10684990 0.76 HRH3 (0.38) HRH3
SCHEMBL24355252 0.76 MAPT (0.38) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL24355247 0.76 MAPT (0.38) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL12015736 0.76 TSHR (0.48) HRH3ALOX15HIF1ATDP1CYP19A1
SCHEMBL9739296 0.76 CYP2C19 (0.46) MAPTMEN1KMT2AHRH3CYP3A4
SCHEMBL3893413 0.75 TSHR (0.43) ALDH1A1HIF1AMAPK1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6279390-A None JP disclosed
US-6858626-B2 Enzyme inhibitor; antiinflammatory agents; osteoporosis BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-02-22 US disclosed
US-20030139597-A1 Novel Cyclic hydroxamic acid as metalloproteinase inhibitors XUE CHU-BIAO (US) 2003-07-24 US disclosed
US-6429213-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-06 US disclosed
US-5811398-A Platelet aggregation inhibitors containing C-terminal aminergic side chain amino acid residues G. D. SEARLE & CO. (US) 1998-09-22 US disclosed
EP-0835265-A1 PLATELET AGGREGATION INHIBITORS CONTAINING C-TERMINAL AMINERGIC SIDE CHAIN AMINO ACID RESIDUES G.D. SEARLE & CO. (US) 1998-04-15 EP disclosed
WO-1996032415-A1 PLATELET AGGREGATION INHIBITORS CONTAINING C-TERMINAL AMINERGIC SIDE CHAIN AMINO ACID RESIDUES G.D. SEARLE & CO. (US) 1996-10-17 WO disclosed
JP-H06279390-A TRIAMINE, TRIISOCYANATE AND PRODUCTION THEREOF MITSUI TOATSU CHEM INC 1994-10-04 JP 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-20030139597-A1 Novel Cyclic hydroxamic acid as metalloproteinase inhibitors MMP9, MMP2, MMP25 MAPT 4850/4885MEN1 3733/4885KMT2A 885/4885

“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.