SCHEMBL1677280

SCHEMBL1677280

N#CSCC(=O)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 10/20 0.62
ALDH1A1 P00352 10/20 0.62
HSD17B10 Q99714 8/20 0.62
HPGD P15428 8/20 0.62
MAPT P10636 6/20 0.62
ALOX15 P16050 5/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
RECQL P46063 2/20 0.62
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ESR2 Q92731 2/20 0.53
GAA P10253 2/20 0.53
HTT P42858 2/20 0.53
ALOX12 P18054 1/20 0.53
NR4A1 P22736 1/20 0.53
MCL1 Q07820 1/20 0.53
ESR1 P03372 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL10350100 0.77 POLB (0.68) POLBALDH1A1HSD17B10HPGDMAPT
SCHEMBL135923 0.77 ALDH1A1 (0.53) POLBALDH1A1HSD17B10HPGDMAPT
SCHEMBL11218386 0.74 CES2 (0.53) POLBALDH1A1HSD17B10HPGDMAPT
Water SCHEMBL28227846 0.74 ALDH1A1 (0.58) POLBALDH1A1HSD17B10HPGDMAPT
SCHEMBL6320074 0.73 ERCC5 (0.74) POLBALDH1A1HSD17B10HPGDMAPT
SCHEMBL1651850 0.73 CES2 (0.70) POLBALDH1A1HSD17B10HPGDMAPT
SCHEMBL8245106 0.73 CES2 (0.52) POLBALDH1A1HSD17B10HPGDMAPT
SCHEMBL28243065 0.72 ALDH1A1 (0.62) POLBALDH1A1HSD17B10HPGDMAPT
SCHEMBL18341929 0.72 ALDH1A1 (0.49) POLBALDH1A1HSD17B10HPGDMAPT
Water SCHEMBL28207792 0.72 ALDH1A1 (0.56) POLBALDH1A1HSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
US-7928098-B2 Therapeutic and/or preventive agents for a sleep disorder KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-19 US disclosed
US-20100280023-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-11-04 US disclosed
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-1921077-A1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-05-14 EP disclosed
EP-1894930-A1 THIAZOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-03-05 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 (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-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER HCRTR1, MTNR1A, HCRTR2 POLB 3885/4885ALDH1A1 638/4885HSD17B10 125/4885
US-20100280023-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, GPR6 POLB 4475/4885ALDH1A1 1449/4885HSD17B10 1946/4885

“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.