SCHEMBL2649566

SCHEMBL2649566

O=C(Cl)C(Cl)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
ADRA1D P25100 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ROCK2 O75116 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 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
SCHEMBL10939067 0.84 MEN1 (0.53) ACP3MEN1KMT2APARP1ALDH1A1
SCHEMBL6628518 0.82 ACP3 (0.46) ACP3MEN1KMT2APARP1ALDH1A1
SCHEMBL7283486 0.82 PARP1 (0.50) ACP3MEN1KMT2APARP1ALDH1A1
SCHEMBL11628563 0.82 ACP3 (0.49) ACP3MEN1KMT2APARP1ALDH1A1
SCHEMBL11750152 0.79 PARP1 (0.52) ACP3MEN1KMT2APARP1ALDH1A1
SCHEMBL8820615 0.79 TPMT (0.41) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL6556758 0.78 ACP3 (0.46) ACP3MEN1KMT2APARP1ALDH1A1
SCHEMBL9297070 0.78 ACP3 (0.46) ACP3MEN1KMT2APARP1ALDH1A1
SCHEMBL9297066 0.78 ACP3 (0.46) ACP3MEN1KMT2APARP1ALDH1A1
SCHEMBL11263818 0.78 ACHE (0.46) ACP3MEN1KMT2APARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108707114-A A kind of acetamides and its preparation method and application 上海泰禾国际贸易有限公司 2018-10-26 CN disclosed
US-10071994-B2 N-sulfonyl homoserine lactone derivatives, preparation method and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-09-11 US disclosed
US-20180179193-A1 N-Sulfonyl Homoserine Lactone Derivatives, Preparation Method and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-06-28 US disclosed
EP-3150594-A1 N-SULFONYL HOMOSERINE LACTONE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2017-04-05 EP disclosed
EP-1212324-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-10-29 EP disclosed
US-6608062-B1 Ligands for gamma-aminobutyric acid receptors; treatment and/or prevention of central nervous system disorders, including anxiety MERCK SHARP & DOHME LTD. 2003-08-19 US disclosed
EP-1212324-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2002-06-12 EP disclosed
WO-2001014377-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-03-01 WO disclosed
US-4960457-A Substituted 1,3-diphenyl pyrrolidones and their use as herbicides ICI AMERICAS INC. (US) 1990-10-02 US disclosed
US-4502883-A CONTAINING CHLORINE IDEMITSU KOSAN COMPANY LIMITED (JP) 1985-03-05 US disclosed
US-4455164-A HALOGENATED DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1984-06-19 US 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 (2 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-20180179193-A1 N-Sulfonyl Homoserine Lactone Derivatives, Preparation Method and Use Thereof LSS, SOS1, STS ACP3 4669/4885MEN1 346/4885KMT2A 3793/4885
US-10071994-B2 N-sulfonyl homoserine lactone derivatives, preparation method and use thereof LSS, SOS1, STS ACP3 4643/4885MEN1 432/4885KMT2A 3890/4885

“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.