SCHEMBL2248381

SCHEMBL2248381

c1csc(-c2nc(N3CCNCC3)no2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.75
RAB9A P51151 9/20 0.75
ADRB1 P08588 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HSD17B10 Q99714 5/20 0.45
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
USP2 O75604 4/20 0.45
CYP2C9 P11712 4/20 0.45
CASP1 P29466 4/20 0.45
CASP7 P55210 4/20 0.45
HIF1A Q16665 3/20 0.45
TP53 P04637 5/20 0.45
MAPK1 P28482 4/20 0.45

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
SCHEMBL2244022 0.79 NPC1 (0.68) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL2244692 0.77 ALDH1A1 (0.51) NPC1RAB9AADRB1SMN1; SMN2NPSR1
SCHEMBL4585928 0.76 CASP3 (0.50) NPC1RAB9A
SCHEMBL11988503 0.75 ADRB2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL2247573 0.75 ALDH1A1 (0.50) NPC1RAB9AADRB1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL2247082 0.74 ADRB2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL30579597 0.73 NPC1 (0.41) NPC1RAB9AADRB1SMN1; SMN2ALDH1A1
SCHEMBL2246945 0.73 NPC1 (0.59) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2384014 0.72 ALDH1A1 (0.57) RAB9AADRB1ALDH1A1MEN1KMT2A
SCHEMBL6192934 0.71 NPC1 (0.57) NPC1RAB9ASMN1; SMN2NPSR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD NPC1 641/4885RAB9A 2765/4885ADRB1 569/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD NPC1 655/4885RAB9A 2780/4885ADRB1 566/4885

“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.