SCHEMBL1787070

SCHEMBL1787070

NNc1cc(C(=O)O)c(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.55
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CISD1 Q9NZ45 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL15048881 0.83 MAPT (0.50) ALDH1A1MAPTKDM4ETDP1NPC1
Hydrochloric Acid SCHEMBL1786242 0.82 MAPT (0.49) ALDH1A1MAPTKDM4ETDP1NPC1
SCHEMBL15797654 0.79 MAPT (0.50) ALDH1A1MAPTKDM4ETDP1NPC1
SCHEMBL1784371 0.79 GAA (0.50) ALDH1A1MAPTKDM4ETSHRCASP1
Oxalic Acid SCHEMBL20984363 0.79 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ETDP1NPC1
SCHEMBL29133155 0.78 MAPT (0.45) ALDH1A1MAPTKDM4ETDP1NPC1
Hydrochloric Acid SCHEMBL1787398 0.78 LRRK2 (0.46) ALDH1A1MAPTKDM4ETDP1NPC1
SCHEMBL69107 0.78 CA1 (0.59) ALDH1A1MAPTKDM4ETDP1NPC1
SCHEMBL16577886 0.77 CA12 (0.43) ALDH1A1MAPTKDM4ETDP1NPC1
SCHEMBL611733 0.77 KDM4E (0.57) ALDH1A1MAPTKDM4ETDP1NPC1

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 3413/4885KDM4E 1188/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R ALDH1A1 650/4885MAPT 4086/4885KDM4E 3215/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R ALDH1A1 918/4885MAPT 4300/4885KDM4E 3524/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R ALDH1A1 2084/4885MAPT 3413/4885KDM4E 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.