SCHEMBL3355557

SCHEMBL3355557

O=C(O)c1c(Cl)nsc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
GRM6 O15303 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LDHA P00338 1/20 0.36
DHODH Q02127 2/20 0.36
PDE10A Q9Y233 2/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL11162751 0.88 ALAD (0.40) KDM4EALDH1A1LMNAMEN1MAPT
SCHEMBL28306048 0.86 CASP1 (0.43) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL14710647 0.85 PTPN1 (0.41) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11156557 0.80 KDM4E (0.51) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL11167983 0.80 ALDH1A1 (0.46) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL2346052 0.79 DHODH (0.46) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL16048970 0.79 HPGD (0.45) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL20027633 0.79 HPGD (0.44) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL14710713 0.77 PRKAB2 (0.40) KMT2ACYP2C9
SCHEMBL9593142 0.75 KDM4E (0.46) KDM4EALDH1A1LMNAMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US claimed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
EP-3409671-B1 ISOTHIAZOLE DERIVATIVES AS GPR120 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2021-07-21 EP disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
US-10618893-B2 GPR120 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICALS NV (BE) 2020-04-14 US disclosed
US-10618893-B2 GPR120 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICALS NV (BE) 2020-04-14 US disclosed
CN-106414434-B Isothiazole derivatives as GPR120 agonists for the treatment of type II diabetes 詹森药业有限公司 2019-12-31 CN disclosed
WO-2007041379-A1 MET KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed
US-20070078140-A1 MET kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078140-A1 MET kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
US-4380465-A PLANT SAFTENING AGENTS MONSANTO COMPANY (US) 1983-04-19 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 (7 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KDM4E 3495/4885ALDH1A1 4193/4885LMNA 1415/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 KDM4E 3117/4885ALDH1A1 4421/4885LMNA 1105/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KDM4E 3495/4885ALDH1A1 4193/4885LMNA 1415/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 KDM4E 4309/4885ALDH1A1 527/4885LMNA 426/4885
US-10618893-B2 GPR120 agonists for the treatment of type II diabetes GPR119, GLP1R, GCGR KDM4E 3412/4885ALDH1A1 1789/4885LMNA 3323/4885
US-20070078140-A1 MET kinase inhibitors MET, ABL1, ERBB2 KDM4E 592/4885ALDH1A1 1225/4885LMNA 4721/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP KDM4E 4082/4885ALDH1A1 2133/4885LMNA 479/4885

“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.