SCHEMBL6790563

SCHEMBL6790563

O=C(CCl)c1cc(Cl)sc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 1.00
DAO P14920 1/20 0.61
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HIF1A Q16665 1/20 0.46
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL15988630 0.85 GSK3B (0.74) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL5725649 0.82 GSK3B (0.69) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL10512352 0.82 GSK3B (0.69) GSK3BDAOMAPTHPGDKDM4E
Hydrochloric Acid SCHEMBL7319930 0.80 GSK3B (0.67) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL6802262 0.79 GSK3B (0.65) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL11844863 0.78 DAO (0.71) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL19341288 0.76 GSK3B (0.61) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL15979679 0.76 GSK3B (0.61) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL13563383 0.76 GSK3B (0.60) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL792551 0.76 DAO (1.00) GSK3BDAOMAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327494-A1 NON-INVASIVE VENTILATION WITH HIGH FREQUENCY OSCILLATIONS KONINKLIJKE PHILIPS N.V. (NL) 2017-11-16 US disclosed
WO-2015162269-A1 MICROBIOCIDAL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-10-29 WO disclosed
US-6747057-B2 SUCH 1-(2-BROMO-4,5-DICHLORO-THIOPHEN-3-YL)-2-CHLORO-ETHANONE FOR TREATMENT OF ALZHEIMER'S DISEASE OR DIABETES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2004-06-08 US disclosed
US-20030199508-A1 Compounds and their therapeutic use UNIVERSIDAD AUTONOMA DE MADRID (UAM) (ES) 2003-10-23 US disclosed
WO-2003055479-A1 COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-07-10 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 (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-20030199508-A1 Compounds and their therapeutic use CNKSR1, CBR1, CBR3 GSK3B 4/4885DAO 697/4885MAPT 3369/4885
US-20170327494-A1 NON-INVASIVE VENTILATION WITH HIGH FREQUENCY OSCILLATIONS CHRM5, CHRNA5, CHRM1 GSK3B 4578/4885DAO 732/4885MAPT 4784/4885

“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.