SCHEMBL6987832

SCHEMBL6987832

Cc1cccc2c(Cl)noc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 2/20 0.41
FFAR1 O14842 1/20 0.40
MCL1 Q07820 1/20 0.40
SSTR4 P31391 4/20 0.39
ALDH1A1 P00352 1/20 0.35
CYP17A1 P05093 3/20 0.34
GAA P10253 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8404486 0.79 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP2A6FFAR1MCL1
SCHEMBL6993650 0.79 CYP1A2 (0.44) SMN1; SMN2CYP1A2CYP2A6SSTR4CYP17A1
SCHEMBL30917304 0.76 ENPP3 (0.33) SMN1; SMN2CYP1A2CYP2A6ALDH1A1CYP17A1
SCHEMBL4572282 0.76 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2A6FFAR1MCL1
SCHEMBL1759529 0.76 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2A6FFAR1MCL1
SCHEMBL6992242 0.76 ALDH1A1 (0.51) SMN1; SMN2CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL14830422 0.74 CYP17A1 (0.66) CYP1A2CYP17A1
SCHEMBL24663489 0.74 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2A6FFAR1MCL1
SCHEMBL12946371 0.73 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2A6FFAR1MCL1
SCHEMBL12426067 0.73 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2A6FFAR1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003675-B2 3,4-dihalogenoisothiazole derivative, and agricultural or horticultural plant disease-controlling agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-08-23 US disclosed
US-8003675-B2 3,4-dihalogenoisothiazole derivative, and agricultural or horticultural plant disease-controlling agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-08-23 US disclosed
WO-2010070822-A1 SAFENERS FOR HERBICIDES, HERBICIDAL COMPOSITIONS WITH REDUCED CHEMICAL DAMAGE AND SAFENING METHOD USING SAME クミアイ化学工業株式会社 (JP) 2010-06-24 WO disclosed
US-20090240057-A1 3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent KUMIAI CHEMICAL INDUSTRY CO., LTD. AND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-24 US disclosed
US-20090240057-A1 3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent KUMIAI CHEMICAL INDUSTRY CO., LTD. AND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-24 US disclosed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed
EP-0353821-B1 Antipsychotic 3-piperazinyl-benzazole derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-05-10 EP disclosed
US-5015740-A Psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-05-14 US disclosed
US-4957916-A DISORDERS CONNECTED WITH DOPAMINE AND/OR SEROTONIN RELEASE JANSSEN PHARMACEUTICA N.V. (BE) 1990-09-18 US disclosed
EP-0353821-A2 Antipsychotic 3-piperazinyl-benzazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-02-07 EP 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 (1 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-20090240057-A1 3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent CBR3, HDHD5, OSR1 SMN1; SMN2 4617/4885CYP1A2 1873/4885CYP2A6 2350/4885

“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.