SCHEMBL14722145

SCHEMBL14722145

[c]1cccc2c1Cc1ccccc1CS2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 5/20 0.36
ALDH1A1 P00352 5/20 0.34
GAA P10253 1/20 0.34
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 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
SCHEMBL168344 0.78 ALDH1A1 (0.46) ALDH1A1GAASLC6A2HTR2CSLC6A3
SCHEMBL319460 0.74 CYP1A2 (0.39) DRD2HTR2AHTR2CHRH1DRD3
SCHEMBL3772410 0.74 HSD17B3 (0.43) HSD17B3ALDH1A1GAACHRM2ADRA2A
SCHEMBL5420509 0.71
SCHEMBL13864441 0.69 ALDH1A1 (0.47) HSD17B3ALDH1A1GAACHRM2ADRA2A
SCHEMBL15761043 0.69
SCHEMBL366355 0.67
SCHEMBL23903 0.67 MAOA (0.41) ALDH1A1ADRA2ASLC6A2HTR2CSLC6A4
SCHEMBL6363340 0.66
SCHEMBL10253628 0.66 HSD17B3 (0.43) HSD17B3ALDH1A1GAACHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026455-A1 PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS AARHUS UNIVERSITET (DK) 2013-02-28 WO claimed
US-20160355511-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2016-12-08 US disclosed
US-9309221-B2 1-substituted indazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-04-12 US disclosed
US-20150259344-A1 IMIDAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-09-17 US disclosed
EP-2905279-A1 IMIDAZOLE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-08-12 EP disclosed
US-9051295-B2 1-substituted indazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-06-09 US disclosed
EP-2837623-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-02-18 EP disclosed
US-20150031681-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2015-01-29 US disclosed
US-8765786-B2 1-substituted indazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-07-01 US disclosed
US-20140121244-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2014-05-01 US disclosed
US-20140121243-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2014-05-01 US disclosed
WO-2013026455-A1 PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS AARHUS UNIVERSITET (DK) 2013-02-28 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 (5 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-20150259344-A1 IMIDAZOLE DERIVATIVE CHRNA4, CHRNB4, CHRNA7 HSD17B3 2057/4885ALDH1A1 2889/4885GAA 3268/4885
US-20140121244-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 HSD17B3 218/4885ALDH1A1 2666/4885GAA 4485/4885
US-20160355511-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 HSD17B3 218/4885ALDH1A1 2666/4885GAA 4485/4885
US-20140121243-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 HSD17B3 218/4885ALDH1A1 2666/4885GAA 4485/4885
US-20150031681-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 HSD17B3 218/4885ALDH1A1 2666/4885GAA 4485/4885

“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.