SCHEMBL7970697

SCHEMBL7970697

O=C(O)c1sc(Cl)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.58
RXFP1 Q9HBX9 3/20 0.42
BCKDK O14874 2/20 0.42
MAPK1 P28482 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
OGG1 O15527 1/20 0.40
BCL2L1 Q07817 1/20 0.40
DAO P14920 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
Hydrochloric Acid SCHEMBL27544067 0.98 MCL1 (0.56) MCL1RXFP1BCKDKMAPK1HDAC1
SCHEMBL4650792 0.85 MCL1 (0.43) MCL1RXFP1MAPK1HDAC1HDAC8
SCHEMBL4651926 0.78 ALDH1A1 (0.53) RXFP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8631381 0.76 OGG1 (0.43) MCL1RXFP1HDAC1HDAC8HDAC6
SCHEMBL8904180 0.75 CYP2A6 (0.47) MCL1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL15876151 0.74 MCL1 (0.48) MCL1RXFP1KDM4EKMT2AHPGD
SCHEMBL11328828 0.74 MCL1 (0.48) MCL1RXFP1ALDH1A1KDM4EMEN1
SCHEMBL14246796 0.74 MCL1 (0.48) MCL1RXFP1BCKDKALDH1A1KDM4E
SCHEMBL29911721 0.74 MCL1 (1.00) MCL1RXFP1BCKDKMAPK1HDAC1
SCHEMBL444722 0.74 MCL1 (1.00) MCL1RXFP1BCKDKMAPK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107325002-B Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material 南昌大学 2020-03-27 CN disclosed
US-9491941-B2 (Hetero) arylacrylamides for the control of ectoparasites NOVARTIS TIERGESUNDHEIT AG (CH) 2016-11-15 US disclosed
US-20150320044-A1 (HETERO) ARYLACRYLAMIDES FOR THE CONTROL OF ECTOPARASITES ELANCO TIERGESUNDHEIT AG (CH) 2015-11-12 US disclosed
EP-2934133-A1 (HETERO) ARYLACRYLAMIDES FOR THE CONTROL OF ECTOPARASITES Novartis Tiergesundheit AG (CH) 2015-10-28 EP disclosed
WO-2014096381-A1 (HETERO) ARYLACRYLAMIDES FOR THE CONTROL OF ECTOPARASITES NOVARTIS AG (CH) 2014-06-26 WO disclosed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 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 (3 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-20150320044-A1 (HETERO) ARYLACRYLAMIDES FOR THE CONTROL OF ECTOPARASITES AAAS, TYR, CAT MCL1 4093/4885RXFP1 3565/4885BCKDK 2844/4885
US-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR MCL1 616/4885RXFP1 429/4885BCKDK 1883/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR MCL1 616/4885RXFP1 429/4885BCKDK 1883/4885

“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.