SCHEMBL1255692

SCHEMBL1255692

CCN(CC)CC.Cc1ncc(C(=O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HCAR3 P49019 9/20 0.44
MAPT P10636 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
P4HA1 P13674 2/20 0.39
P4HTM Q9NXG6 2/20 0.39
HCAR2 Q8TDS4 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MIF P14174 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL185619 0.85 ALDH1A1 (0.58) KDM4EALDH1A1ALOX15HSD17B10HCAR3
SCHEMBL1256869 0.78 KDM4E (0.43) KDM4EALDH1A1ALOX15HSD17B10HCAR3
Terephthalic Acid SCHEMBL27952507 0.74 ALDH1A1 (0.60) KDM4EALDH1A1ALOX15MAPTRXRA
SCHEMBL28289613 0.74 TPMT (0.48) KDM4EALDH1A1ALOX15HSD17B10MAPT
Terephthalic Acid SCHEMBL8092811 0.74 ALDH1A1 (0.60) KDM4EALDH1A1ALOX15MAPTRXRA
SCHEMBL17611243 0.74 KDM4E (0.62) KDM4EALDH1A1ALOX15HSD17B10HCAR3
Benzoic Acid SCHEMBL1463186 0.71 TSHR (0.64) KDM4EALDH1A1MAPTNAPRT
SCHEMBL27823817 0.71 MAPT (0.41) KDM4EHCAR3MAPT
SCHEMBL186656 0.71 ALDH1A1 (0.52) KDM4EALDH1A1ALOX15HSD17B10HCAR3
4-Methylbenzoic Acid SCHEMBL29256414 0.71 ALDH1A1 (0.68) KDM4EALDH1A1MAPTRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002283-B1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO LTD (JP) 2017-06-14 EP disclosed
EP-3002283-A1 THIAZOLE DERIVATIVES Kyowa Hakko Kirin Co., Ltd. (JP) 2016-04-06 EP disclosed
EP-1700856-B1 THIAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2015-11-11 EP disclosed
US-8889718-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-11-18 US disclosed
US-20130267509-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-10-10 US disclosed
US-8420827-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-04-16 US disclosed
US-20110105486-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-05 US disclosed
US-7880013-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-02-01 US disclosed
CN-1902196-B Thiazole derivatives KYOWA HAKKO KOGYO KK 2010-12-29 CN disclosed
US-20100256361-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-7718808-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-05-18 US disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 US disclosed
CN-1902196-A Thiazole derivatives KYOWA HAKKO KOGYO KK (JP) 2007-01-24 CN disclosed
EP-1700856-A1 THIAZOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-13 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 (4 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-20130267509-A1 THIAZOLE DERIVATIVES THRA, CHD8, CYP2C8 KDM4E 4495/4885ALDH1A1 1344/4885ALOX15 2216/4885
US-20110105486-A1 THIAZOLE DERIVATIVES CHD8, CYP2C8, THRA KDM4E 4497/4885ALDH1A1 769/4885ALOX15 1976/4885
US-20100256361-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, ADORA1 KDM4E 4728/4885ALDH1A1 1290/4885ALOX15 2549/4885
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders ADORA2A, ADORA3, ADORA1 KDM4E 4715/4885ALDH1A1 2843/4885ALOX15 1801/4885

“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.