SCHEMBL1850000

SCHEMBL1850000

Oc1cc(F)cc(-c2ccc3scnc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
DYRK1A Q13627 1/20 0.41
FFAR1 O14842 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
FASN P49327 1/20 0.39
VRK1 Q99986 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
RIPK2 O43353 6/20 0.38
KDR P35968 3/20 0.38
TGFBR1 P36897 3/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CD O00329 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAP3K11 Q16584 1/20 0.36
RIPK3 Q9Y572 1/20 0.36

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
SCHEMBL3311489 0.89 DYRK1A (0.46) DYRK1AFFAR1ALOX5APFEN1FASN
SCHEMBL1852870 0.80 FFAR1 (0.48) HSD17B1HSD17B2DYRK1AFFAR1FASN
SCHEMBL28048502 0.80 ALDH1A1 (0.54) DYRK1AFFAR1ALOX5APFEN1FASN
SCHEMBL3307688 0.79 RXRA (0.42) DYRK1AFFAR1ALOX5APFEN1FASN
SCHEMBL1852032 0.78 VRK1 (0.46) HSD17B1HSD17B2DYRK1AFFAR1ALOX5AP
SCHEMBL3306723 0.77 CYP11B1 (0.44) DYRK1AFFAR1ALOX5APFEN1FASN
SCHEMBL1854129 0.73 CYP2A6 (0.45) DYRK1AFFAR1ALOX5APFEN1FASN
SCHEMBL29720591 0.73 ALDH1A1 (0.50) DYRK1AFFAR1ALDH1A1HSD17B10MAP3K11
SCHEMBL4054554 0.73 ALDH1A1 (0.50) DYRK1AALOX5APFEN1RIPK2ALDH1A1
SCHEMBL927314 0.73 ALDH1A1 (0.50) DYRK1AFFAR1ALDH1A1HSD17B10MAP3K11

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-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
EP-2323697-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY Siemens Medical Solutions USA, Inc. (US) 2011-05-25 EP disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 WO disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 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 (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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB HSD17B1 2410/4885HSD17B2 2743/4885DYRK1A 3096/4885

“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.