SCHEMBL1787693

SCHEMBL1787693

NC(=O)c1cccc(-n2cccn2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
PARP1 P09874 4/20 0.43
CAPN1 P07384 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.40
ADRA1D P25100 1/20 0.38
PARP2 Q9UGN5 2/20 0.38
PARP3 Q9Y6F1 2/20 0.38
P2RX7 Q99572 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL3705943 0.86 TSHR (0.47) NPC1MAPK1LMNAKDM4EMEN1
SCHEMBL3544059 0.84 NPC1 (0.49) NPC1MAPK1LMNAKDM4EMEN1
SCHEMBL3807687 0.84 HCRTR1 (0.36) NPC1MAPK1PARP1CAPN1MAPT
SCHEMBL27765492 0.82 NPC1 (0.44) NPC1MAPK1PARP1CAPN1LMNA
SCHEMBL1785879 0.81 NPC1 (0.44) NPC1MAPK1LMNAKDM4EMEN1
SCHEMBL16666154 0.78 NOTUM (0.46) PARP1CAPN1LMNAKDM4EMEN1
SCHEMBL17318608 0.76 NPC1 (0.42) NPC1MAPK1PARP1CAPN1LMNA
SCHEMBL1786708 0.76 CAPN1 (0.47) CAPN1LMNAKDM4EMEN1ALDH1A1
SCHEMBL3255936 0.75 NPC1 (0.53) NPC1MAPK1LMNAKDM4EMEN1
SCHEMBL3786710 0.74 NPC1 (0.49) NPC1MAPK1LMNAKDM4EMEN1

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 NPC1 2847/4885MAPK1 802/4885PARP1 4808/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R NPC1 486/4885MAPK1 582/4885PARP1 4696/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R NPC1 635/4885MAPK1 877/4885PARP1 4282/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R NPC1 2847/4885MAPK1 802/4885PARP1 4808/4885

“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.