SCHEMBL2225110

SCHEMBL2225110

O=C(c1cc[c]cc1)N1CCSCC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.64
ALDH1A1 P00352 2/20 0.64
HSD17B10 Q99714 1/20 0.64
GRM5 P41594 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL1921224 0.86 ALDH1A1 (0.56) HPGDALDH1A1KMT2ASIGMAR1MAPK1
SCHEMBL161104 0.82 HPGD (0.69) HPGDALDH1A1L3MBTL3KMT2AMAPK1
SCHEMBL743038 0.82 HPGD (0.63) HPGDALDH1A1HSD17B10L3MBTL3KMT2A
SCHEMBL947052 0.81 HPGD (0.68) HPGDALDH1A1HSD17B10GRM5RAB9A
SCHEMBL27978775 0.81 HPGD (0.73) HPGDALDH1A1L3MBTL3KMT2AMAPK1
SCHEMBL20197 0.81 HPGD (0.73) HPGDALDH1A1L3MBTL3KMT2AMAPK1
SCHEMBL28292804 0.79 HPGD (0.63) HPGDALDH1A1KMT2ASIGMAR1MAPK1
SCHEMBL4506219 0.79 HPGD (0.71) HPGDALDH1A1HSD17B10GRM5L3MBTL3
SCHEMBL23387920 0.78 HPGD (0.51) HPGDALDH1A1HSD17B10GRM5RAB9A
SCHEMBL3152770 0.78 HPGD (0.69) HPGDALDH1A1HSD17B10GRM5L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
CN-102791131-A Compounds and methods GLAXOSMITHKLINE LLC 2012-11-21 CN disclosed
WO-2011088031-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP disclosed
EP-1567528-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004048383-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 WO 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 (3 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 HPGD 1640/4885ALDH1A1 555/4885HSD17B10 1034/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 HPGD 3340/4885ALDH1A1 204/4885HSD17B10 361/4885
US-20080113977-A1 Mixed Lineage Kinase Modulators MYLK2, CSNK1G2, CSNK1A1 HPGD 2362/4885ALDH1A1 3779/4885HSD17B10 2715/4885

“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.