SCHEMBL9813210

SCHEMBL9813210

COC1=CC2=C(Sc3cc(C)ccc3N2)C(Br)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ EPHX2 P34913 1/20 0.38
▸ GAA P10253 5/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ SNCA P37840 2/20 0.35
▸ TDP1 Q9NUW8 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NOX1 Q9Y5S8 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL2987616 0.88 SNCA (0.50) MAPTKMT2AMEN1MAPK1GAA
SCHEMBL9813116 0.87 NOX1 (0.41) MAPTKMT2AMEN1MAPK1GAA
SCHEMBL10575740 0.76 MEN1 (0.45) MAPTKMT2AMEN1MAPK1ALOX15
SCHEMBL10569969 0.74 SNCA (0.50) MAPTKMT2AMEN1MAPK1GAA
SCHEMBL10591953 0.73 EPHX2 (0.41) MAPTKMT2AMEN1MAPK1ALOX15
SCHEMBL10593192 0.70 L3MBTL1 (0.43) MAPTKMT2AMEN1MAPK1ALOX15
SCHEMBL10590538 0.70 MEN1 (0.40) MAPTKMT2AMEN1MAPK1ALOX15
SCHEMBL10590992 0.70 MAPT (0.44) MAPTKMT2AMEN1MAPK1HSD17B10
SCHEMBL10592334 0.69 SNCA (0.41) MAPTKMT2AMEN1MAPK1GAA
SCHEMBL10592286 0.66 EPHX2 (0.42) MAPTKMT2AMEN1MAPK1ALOX15

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
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 — — US disclosed
EP-0138481-B1 LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA INC. (CA) 1991-06-26 — — EP disclosed
US-4845083-A PHENOTHIAZINE DERIVATIVES AND ANALOGS MERCK FROSST CANADA, INC. (CA) 1989-07-04 — — US disclosed
EP-0138481-A2 Leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1985-04-24 — — 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-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 MAPT 2546/4885KMT2A 2361/4885MEN1 3370/4885

“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.

Send feedback