SCHEMBL9259898

SCHEMBL9259898

[C]1c2ccccc2CSc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
HSD17B3 P37058 5/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RYR2 Q92736 1/20 0.34
POLB P06746 2/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL15761043 0.76
SCHEMBL13864441 0.76 ALDH1A1 (0.47) ALDH1A1GAAHSD17B3ACHEMAPT
SCHEMBL229977 0.71 BCHE (0.42) ALDH1A1GAAACHEMAPTHPGD
SCHEMBL11095966 0.71 TSHR (0.43) DRD2HTR2AHTR2CDRD3NPC1
SCHEMBL1750074 0.71 MAOA (0.42) ALDH1A1MAPTHPGDDRD2HTR2A
SCHEMBL1751341 0.71 TSHR (0.43) DRD2HTR2AHTR2CDRD3NPC1
SCHEMBL1750072 0.71 MAOA (0.42) ALDH1A1MAPTHPGDDRD2HTR2A
SCHEMBL8912020 0.71 TSHR (0.43) DRD2HTR2AHTR2CDRD3NPC1
SCHEMBL10253628 0.68 HSD17B3 (0.43) ALDH1A1GAAHSD17B3ACHEMAPT
SCHEMBL11065212 0.68 ALDH1A1 (0.44) ALDH1A1GAAHSD17B3ACHEMAPT

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 15 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-5410046-A Selective muscarinic receptor antagonists PFIZER INC. (US) 1995-04-25 US claimed
US-5231104-A Anticholinergic PFIZER INC. (US) 1993-07-27 US claimed
US-5089505-A Anticholinergic agents PFIZER INC. (US) 1992-02-18 US 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 ALDH1A1 2889/4885GAA 3268/4885HSD17B3 2057/4885
US-20140121244-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 ALDH1A1 2666/4885GAA 4485/4885HSD17B3 218/4885
US-20160355511-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 ALDH1A1 2666/4885GAA 4485/4885HSD17B3 218/4885
US-20140121243-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 ALDH1A1 2666/4885GAA 4485/4885HSD17B3 218/4885
US-20150031681-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 ALDH1A1 2666/4885GAA 4485/4885HSD17B3 218/4885

“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.