SCHEMBL650536

SCHEMBL650536

CCCC[C@@H](C(=N)C1CCCCC1)c1cnc(-c2ccccc2)n1CCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 3/20 0.35
ADORA2B P29275 3/20 0.35
ADORA1 P30542 3/20 0.35
POLB P06746 1/20 0.34
CNR2 P34972 2/20 0.34
NR1H3 Q13133 1/20 0.33
PDE4B Q07343 2/20 0.33
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 4/20 0.33
HTT P42858 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6615988 1.00 TSHR (0.41) TSHRALDH1A1HPGDLMNATDP1
SCHEMBL650935 0.76 TSHR (0.42) TSHRALDH1A1HPGDLMNATDP1
SCHEMBL1912801 0.76 TSHR (0.41) TSHRALDH1A1HPGDLMNATDP1
SCHEMBL650936 0.76 TSHR (0.41) TSHRALDH1A1HPGDLMNATDP1
SCHEMBL6615990 0.75 TSHR (0.41) TSHRALDH1A1HPGDLMNATDP1
SCHEMBL652797 0.75 TSHR (0.41) TSHRALDH1A1HPGDLMNATDP1
SCHEMBL652798 0.75 TSHR (0.41) TSHRALDH1A1HPGDLMNATDP1
SCHEMBL648974 0.75 TSHR (0.41) TSHRALDH1A1HPGDLMNATDP1
SCHEMBL1912802 0.75 TSHR (0.41) TSHRALDH1A1HPGDLMNATDP1
SCHEMBL651962 0.73 TSHR (0.54) TSHRALDH1A1HPGDADORA3ADORA2A

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 167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-11-02 US claimed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 US claimed
US-20210387982-A1 HETEROCYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-12-16 US claimed
US-20210128577-A1 Selective HDAC6 Inhibitors ITALFARMACO S.P.A. (IT) 2021-05-06 US claimed
EP-3643713-A1 HETEROCYCLIC KINASE INHIBITORS AND USES THEREOF iOmx Therapeutics AG (DE) 2020-04-29 EP claimed
CN-110546140-A selective HDAC6 inhibitors ITALFARMACO SPA 2019-12-06 CN claimed
EP-2513064-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS UNIV LEUVEN KATH (BE) 2018-07-04 EP claimed
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US claimed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 US claimed
US-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof SIMON FRASER UNIVERSITY (CA) 2011-12-08 US claimed
EP-1206444-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY Morphochem AG (DE) 2002-05-22 EP claimed
WO-2001014320-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2001-03-01 WO claimed
US-6060453-A Immunomodulatory, anti-inflammatory, and anti-proliferative compounds: 5,6-dideoxy, 5-amino derivatives of idose and 6-deoxy, 6-amino derivatives of glucose GREENWICH PHARMACEUTICALS INCORPORATED (US) 2000-05-09 US claimed
EP-0715519-A4 IMMUNOMODULATORY, ANTI-INFLAMMATORY, AND ANTI-PROLIFERATIVE COMPOUNDS: 5,6-DIDEOXY, 5-AMINO DERIVATIVES OF IDOSE AND 6-DEOXY, 6-AMINO DERIVATIVES OF GLUCOSE BOSTON LIFE SCIENCES INC (US) 1998-10-07 EP claimed
EP-0715519-A1 IMMUNOMODULATORY, ANTI-INFLAMMATORY, AND ANTI-PROLIFERATIVE COMPOUNDS: 5,6-DIDEOXY, 5-AMINO DERIVATIVES OF IDOSE AND 6-DEOXY, 6-AMINO DERIVATIVES OF GLUCOSE Boston Life Sciences, Inc. (US) 1996-06-12 EP claimed
WO-1994028910-A1 IMMUNOMODULATORY, ANTI-INFLAMMATORY, AND ANTI-PROLIFERATIVE COMPOUNDS: 5,6-DIDEOXY, 5-AMINO DERIVATIVES OF IDOSE AND 6-DEOXY, 6-AMINO DERIVATIVES OF GLUCOSE BOSTON LIFE SCIENCES, INC. (US) 1994-12-22 WO claimed
US-5219857-A Method of treating cognitive and related neural behavioral problems AMERICAN CYANAMID COMPANY (US) 1993-06-15 US claimed
US-5126340-A Antidepressants AMERICAN CYANAMID COMPANY (US) 1992-06-30 US claimed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP claimed
US-3950339-A SUBSTITUTED-2-(PYRIMIDINYLTHIO)ACETAMIDOXIMES AND ACETONITRILES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-04-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof ENGASE, OGA, GPI TSHR 4410/4885ALDH1A1 1513/4885HPGD 1949/4885
US-20210128577-A1 Selective HDAC6 Inhibitors HDAC6, HDAC1, HDAC3 TSHR 4046/4885ALDH1A1 104/4885HPGD 1112/4885
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS AZI2, NOD1, AADAC TSHR 2004/4885ALDH1A1 373/4885HPGD 620/4885
US-20210387982-A1 HETEROCYCLIC KINASE INHIBITORS AND USES THEREOF LCK, SRC, CILK1 TSHR 3753/4885ALDH1A1 3214/4885HPGD 3917/4885
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF ABL1, PRKDC, PRKACA TSHR 2835/4885ALDH1A1 2606/4885HPGD 4581/4885
US-11351178-B2 Selective HDAC6 inhibitors HDAC6, HDAC1, HDAC3 TSHR 4015/4885ALDH1A1 119/4885HPGD 1007/4885

“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.