SCHEMBL1850866

SCHEMBL1850866

Fc1ccc(/C=C/c2ccc3scnc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.44
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
ESR1 P03372 2/20 0.41
PTGS1 P23219 1/20 0.41
RIPK2 O43353 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DYRK3 O43781 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK4 Q9NR20 1/20 0.39

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
SCHEMBL1850868 1.00 NFE2L2 (0.44) NFE2L2IP6K1IP6K3ESR1PTGS1
SCHEMBL8039453 0.85 ALDH1A1 (0.50) NFE2L2IP6K1IP6K3ESR1RIPK2
SCHEMBL8039455 0.85 ALDH1A1 (0.50) NFE2L2IP6K1IP6K3ESR1RIPK2
SCHEMBL29388659 0.80 ALDH1A1 (0.50) RIPK2ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL4054554 0.80 ALDH1A1 (0.50) RIPK2ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL1852271 0.80 RELA (0.49) NFE2L2ESR1PTGS1NPC1RAB9A
SCHEMBL1852268 0.80 RELA (0.49) NFE2L2ESR1PTGS1NPC1RAB9A
Hydrochloric Acid SCHEMBL27261649 0.77 ALDH1A1 (0.47) ESR1RIPK2ALDH1A1HSD17B10NPC1
SCHEMBL712236 0.76 NPC1 (0.48) IP6K1ESR1PTGS1ALDH1A1HSD17B10
SCHEMBL712237 0.76 NPC1 (0.48) IP6K1ESR1PTGS1ALDH1A1HSD17B10

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 8 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

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 NFE2L2 821/4885IP6K1 2697/4885IP6K3 2002/4885

“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.