SCHEMBL1607683

SCHEMBL1607683

c1csc(C2CCCC[N]2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.40
NOS2 P35228 2/20 0.40
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
RORC P51449 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 3/20 0.35
BCHE P06276 1/20 0.34
HSD17B10 Q99714 1/20 0.33
BRDT Q58F21 1/20 0.33

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
SCHEMBL1607054 0.94 NOS3 (0.41) NOS3NOS2LMNATSHRKDM4E
SCHEMBL8551454 0.84
SCHEMBL498606 0.73 MAPT (0.47) LMNATSHRKDM4EHTTALDH1A1
SCHEMBL1607736 0.73 NOS2 (0.39) NOS3NOS2TSHRKDM4EHTT
SCHEMBL1606746 0.71 NOS3 (0.38) NOS3NOS2TSHRKDM4EHTT
SCHEMBL663162 0.71 MAPT (0.46) LMNATSHRKDM4EHTTRORC
SCHEMBL930295 0.71 MAPT (0.46) LMNATSHRKDM4EHTTRORC
SCHEMBL7122480 0.70 MAPT (0.44) LMNATSHRKDM4EHTTRORC
SCHEMBL8133890 0.69
SCHEMBL1364757 0.68 MAPT (0.43) NOS3NOS2TSHRKDM4EHTT

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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US claimed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8217570-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-07-10 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
EP-2200990-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-06-30 EP disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
US-20080111473-A1 Anthracene Derivative and Organic Electroluminescent Element Using the Same IDEMITSU KOSAN CO., LTD. (JP) 2008-05-15 US disclosed
US-4150129-A DIURETICS, HYPOTENSIVES CIBA-GEIGY CORPORATION (US) 1979-04-17 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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NOS3 4452/4885NOS2 4563/4885LMNA 1968/4885
US-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 NOS3 4106/4885NOS2 2994/4885LMNA 4777/4885

“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.