SCHEMBL10174705

SCHEMBL10174705

CCCc1ncccc1C(=O)SCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
P2RX7 Q99572 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
BLM P54132 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 2/20 0.36
GMNN O75496 1/20 0.36
CYP1A2 P05177 1/20 0.36
TMIGD3 P0DMS9 1/20 0.36

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
SCHEMBL258368 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2497122 0.79 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL5739430 0.79 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10588382 0.76 P2RX7 (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL18790103 0.76 P2RX7 (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17714455 0.76 TDP1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8200687 0.75 TSHR (0.56) ALDH1A1HSD17B10SMN1; SMN2L3MBTL1NPC1
SCHEMBL9879712 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL29742701 0.73 TSHR (0.45) ADORA3ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL17895036 0.73 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 ADORA3 13/4885KDM4E 2210/4885ALDH1A1 867/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ADORA3 13/4885KDM4E 2025/4885ALDH1A1 875/4885

“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.