SCHEMBL1787315

SCHEMBL1787315

Nc1nc2ccc(SCCCCl)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.59
CYP1A2 P05177 4/20 0.57
KCNH2 Q12809 1/20 0.54
CYP2C9 P11712 2/20 0.53
HSD17B10 Q99714 3/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
AXL P30530 1/20 0.46
GFER P55789 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PI4KA P42356 3/20 0.45
PI4KB Q9UBF8 3/20 0.45
PIK3CD O00329 2/20 0.45

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
SCHEMBL11098027 0.85 CYP3A4 (0.65) CYP3A4CYP1A2KCNH2CYP2C9HSD17B10
SCHEMBL9722735 0.82 CYP3A4 (0.62) CYP3A4CYP1A2KCNH2CYP2C9HSD17B10
SCHEMBL9722700 0.82 CYP3A4 (0.62) CYP3A4CYP1A2KCNH2CYP2C9HSD17B10
SCHEMBL2488566 0.79 CYP3A4 (0.65) CYP3A4CYP1A2KCNH2CYP2C9HSD17B10
SCHEMBL11700293 0.79 CYP2C9 (0.62) CYP3A4CYP1A2KCNH2CYP2C9HSD17B10
SCHEMBL5533752 0.78 KCNH2 (0.70) CYP3A4CYP1A2KCNH2CYP2C9HSD17B10
SCHEMBL11007454 0.77 CYP3A4 (0.59) CYP3A4CYP1A2KCNH2CYP2C9HSD17B10
SCHEMBL11838184 0.77 CYP3A4 (0.55) CYP3A4CYP1A2KCNH2CYP2C9HSD17B10
SCHEMBL10873404 0.75 KCNH2 (0.67) CYP3A4CYP1A2KCNH2CYP2C9HSD17B10
SCHEMBL1913966 0.73 KCNH2 (0.64) CYP3A4CYP1A2KCNH2CYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
CN-101883762-A Benzothiazoles as modulators of growth hormone releasing hormone receptors ASTRAZENECA AB 2010-11-10 CN disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 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 (4 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R CYP3A4 3775/4885CYP1A2 3643/4885KCNH2 1919/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R CYP3A4 3683/4885CYP1A2 3181/4885KCNH2 3429/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R CYP3A4 4435/4885CYP1A2 2248/4885KCNH2 3042/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R CYP3A4 3775/4885CYP1A2 3643/4885KCNH2 1919/4885

“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.