SCHEMBL1781579

SCHEMBL1781579

c1csc(-c2cc(-c3cccs3)ncn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 3/20 0.56
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
HSD17B10 Q99714 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
CASP1 P29466 1/20 0.48
MAPK10 P53779 1/20 0.48
CASP7 P55210 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL12608099 0.92 KDM4E (0.48) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL1445183 0.86 MIF (0.52) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL1445236 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL4828368 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL13966932 0.79 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL13409312 0.78 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL11785156 0.78 KMT2A (0.57) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL7536729 0.78 SMN1; SMN2 (0.62) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL1445882 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL21127191 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118483-A1 n-Type thiophene semiconductors POLYERA CORPORATION 2011-05-19 US disclosed
US-7842198-B2 n-Type thiophene semiconductors NORTHWESTERN UNIVERSITY (US) 2010-11-30 US disclosed
US-20080293937-A1 n-Type Thiophene Semiconductors POLYERA CORPORATION 2008-11-27 US disclosed
US-7374702-B2 n-Type thiophene semiconductors NORTHWESTERN UNIVERSITY (US) 2008-05-20 US disclosed
US-20060124909-A1 n-Type thiophene semiconductors POLYERA CORPORATION 2006-06-15 US disclosed
US-6991749-B2 n-Type thiophene semiconductors NORTHWESTERN UNIVERSITY (US) 2006-01-31 US disclosed
US-20050119440-A1 n-Type thiophene semiconductors NATIONAL SCIENCE FOUNDATION 2005-06-02 US disclosed
US-6585914-B2 N-type thiophene semiconductors NORTHWESTERN UNIVERSITY 2003-07-01 US disclosed
US-20030080324-A1 n-type thiophene semiconductors NORTHWESTERN UNIVERSITY 2003-05-01 US 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-20080293937-A1 n-Type Thiophene Semiconductors FTH1, FECH, CD2 KDM4E 628/4885ALDH1A1 2700/4885HPGD 4550/4885
US-20110118483-A1 n-Type thiophene semiconductors FTH1, FECH, CD2 KDM4E 628/4885ALDH1A1 2700/4885HPGD 4550/4885

“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.