SCHEMBL1785731

SCHEMBL1785731

COC(=O)c1cc(-c2ncccc2[N+](=O)[O-])ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 2/20 0.53
TRPV1 Q8NER1 1/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALOX12 P18054 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL15048831 0.85 SMN1; SMN2 (0.46) MEN1KMT2AKDM4ETRPV1LMNA
SCHEMBL15048832 0.85 SMN1; SMN2 (0.46) MEN1KMT2AKDM4ETRPV1LMNA
SCHEMBL1786159 0.81 KDM4E (0.44) MEN1KMT2AKDM4ETRPV1LMNA
SCHEMBL1787467 0.80 LMNA (0.53) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL1785348 0.79 LMNA (0.43) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL31325702 0.77 ALDH1A1 (0.51) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL28106801 0.76 ALDH1A1 (0.47) MEN1KMT2AKDM4ETRPV1LMNA
SCHEMBL31403253 0.75 TDP1 (0.49) MEN1KMT2AKDM4ETRPV1LMNA
SCHEMBL7362825 0.75 VCAM1 (0.54) MEN1KMT2ALMNAHTTPOLB
SCHEMBL4357351 0.74 TRPV1 (0.67) TRPV1POLBTDP1

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-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
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
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 MEN1 2250/4885KMT2A 1721/4885KDM4E 1188/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R MEN1 692/4885KMT2A 3139/4885KDM4E 3215/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R MEN1 1253/4885KMT2A 2304/4885KDM4E 3524/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R MEN1 2250/4885KMT2A 1721/4885KDM4E 1188/4885

“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.