SCHEMBL2890069

SCHEMBL2890069

O=C=NSSc1cccc(N=C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 3/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL9315146 0.87 MAPK1 (0.44) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL8937136 0.80 MAPK1 (0.44) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL31134964 0.80 MAPK1 (0.44) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL2888228 0.78 CYP3A4 (0.45) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL125319 0.77 CYP3A4 (0.43) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL29638353 0.77 CYP3A4 (0.43) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL28080748 0.77 MAPK1 (0.41) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL28087260 0.75 MAPK1 (0.40) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL2889976 0.75 TRPA1 (0.35) MAPK1TDP1CYP3A4TRPA1
SCHEMBL27873 0.74 TDP1 (0.54) MAPK1TDP1CYP3A4TRPA1TSHR

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
US-7115050-B2 Functionalized polysiloxane or polysilsesquioxane curable by ionizing or actinic radiation; and composite particles ACUSHNET COMPANY (US) 2006-10-03 US disclosed
US-20060030663-A1 Functionalized polysiloxane or polysilsesquioxane curable by ionizing or actinic radiation; and composite particles JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-02-09 US disclosed
US-20060030426-A1 Scratch resistant coating compositions for golf equipment ACUSHNET COMPANY 2006-02-09 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 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 (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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 MAPK1 783/4885TDP1 4001/4885CYP3A4 3918/4885

“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.