SCHEMBL3134037

SCHEMBL3134037

Clc1[c]ccc(-n2cccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AOC2 O75106 2/20 0.33
VHL P40337 1/20 0.33
ELOC Q15369 1/20 0.33
ELOB Q15370 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32
IDO1 P14902 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 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
SCHEMBL13733386 0.77 MAPT (0.41) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL1637383 0.77 POLB (0.42) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL3137602 0.72 MAPT (0.37) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL1404600 0.71 NOTUM (0.55) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL60890 0.69 VHL (0.44) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL28034614 0.68 MAPT (0.51) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL2541490 0.68 IDO1 (0.60) MAPTALDH1A1KDM4EAOC2LMNA
SCHEMBL11458982 0.68 KDM4E (0.50) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL3140104 0.68 TERT (0.41) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL20319187 0.68 MAPT (0.68) MAPTPOLBALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 EP disclosed
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
CN-1335847-A Sulfonamide compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-13 CN disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 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 (2 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 MAPT 4734/4885POLB 3795/4885ALDH1A1 28/4885
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A MAPT 4144/4885POLB 4255/4885ALDH1A1 476/4885

“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.