SCHEMBL1783561

SCHEMBL1783561

C#Cc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TP53 P04637 1/20 0.57
TDP1 Q9NUW8 4/20 0.49
POLB P06746 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.47
CTSB P07858 1/20 0.45
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
TSHR P16473 4/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41

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
SCHEMBL28869089 0.85 TSHR (0.57) ALDH1A1TP53TDP1POLBKDM4E
SCHEMBL1786472 0.83 ALDH1A1 (0.46) ALDH1A1TP53TDP1POLBKDM4E
SCHEMBL541999 0.82 HNF4A (0.43) ALDH1A1TDP1POLBKDM4ENPC1
SCHEMBL2225438 0.81 ALDH1A1 (0.57) ALDH1A1TP53TDP1POLBKDM4E
Hydrochloric Acid SCHEMBL6732842 0.80 HNF4A (0.42) ALDH1A1TDP1POLBKDM4ENPC1
SCHEMBL2747715 0.80 F2 (0.44) ALDH1A1TP53AKR1C2AKR1C1SMN1; SMN2
SCHEMBL4463502 0.79 KMT2A (0.49) ALDH1A1TP53TDP1KDM4ENPC1
SCHEMBL2536166 0.78 HNF4A (0.62) ALDH1A1TDP1KDM4ECTSBCASP1
SCHEMBL689828 0.78 HNF4A (0.41) ALDH1A1AKR1C2AKR1C1KMT2AMEN1
SCHEMBL15809275 0.78 HNF4A (0.67) ALDH1A1TP53TDP1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016174052-A1 ANTIPARASITIC COMBINATIONS BAYER ANIMAL HEALTH GMBH (DE) 2016-11-03 WO disclosed
CN-105873906-A Novel compounds for controlling arthropods 拜耳作物科学股份公司 2016-08-17 CN 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-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 2084/4885TP53 3622/4885TDP1 4366/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R ALDH1A1 650/4885TP53 2985/4885TDP1 4230/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R ALDH1A1 918/4885TP53 3513/4885TDP1 4334/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R ALDH1A1 2084/4885TP53 3622/4885TDP1 4366/4885

“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.