SCHEMBL1787731

SCHEMBL1787731

NC(=O)c1cc(-n2cncn2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SYK P43405 2/20 0.42
HSP90AA1 P07900 1/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
F9 P00740 3/20 0.40
MAPK10 P53779 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 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
SCHEMBL8429265 0.84 SMN1; SMN2 (0.45) ALDH1A1MAPTHTTSMN1; SMN2KDM4E
SCHEMBL7419084 0.78 KDM4E (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EHSP90AA1
SCHEMBL1922976 0.78 MYC (0.51) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL1785239 0.77 CAPN1 (0.54) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL10084174 0.75 RAB9A (0.56) ALDH1A1MAPTHTTSMN1; SMN2KDM4E
SCHEMBL8296815 0.75 IP6K1 (0.51) ALDH1A1MAPTHTTSMN1; SMN2KDM4E
SCHEMBL2905639 0.74 SMN1; SMN2 (0.56) ALDH1A1MAPTHTTSMN1; SMN2KDM4E
SCHEMBL6759842 0.74 CYP2A6 (0.47) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1785529 0.73 IDO1 (0.53) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL27955674 0.73 SMN1; SMN2 (0.40) ALDH1A1MAPTHTTSMN1; SMN2KDM4E

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 7 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
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-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US 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
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 ALDH1A1 2084/4885MAPT 3413/4885HTT 509/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R ALDH1A1 650/4885MAPT 4086/4885HTT 1903/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R ALDH1A1 918/4885MAPT 4300/4885HTT 2295/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R ALDH1A1 2084/4885MAPT 3413/4885HTT 509/4885

“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.