SCHEMBL1395356

SCHEMBL1395356

COc1ccc(CCC(=O)Nc2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.73
MEN1 O00255 7/20 0.73
MAPT P10636 6/20 0.73
RAB9A P51151 6/20 0.73
NPC1 O15118 4/20 0.73
HTT P42858 4/20 0.73
ATG4B Q9Y4P1 3/20 0.70
RPS6KB1 P23443 1/20 0.70
CDK2 P24941 1/20 0.70
GSK3A P49840 1/20 0.70
GSK3B P49841 1/20 0.70
CDK5 Q00535 1/20 0.70
AURKB Q96GD4 1/20 0.70
ALDH1A1 P00352 6/20 0.62
LMNA P02545 5/20 0.62
CASP7 P55210 2/20 0.62
CASP6 P55212 2/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
NPY1R P25929 1/20 0.58

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
SCHEMBL1394675 0.94 ATG4B (0.67) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL18529266 0.85 RAB9A (1.00) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL143499 0.82 ATG4B (1.00) ATG4BRPS6KB1CDK2GSK3AGSK3B
SCHEMBL10008959 0.81 ABL1 (0.63) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL28573043 0.80 MEN1 (0.75) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5835470 0.80 CCNE1 (0.57) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL13694241 0.79 MEN1 (0.79) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL1395185 0.78 ATG4B (0.74) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5836289 0.78 LMNA (0.85) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL881339 0.78 LMNA (0.84) KMT2AMEN1MAPTRAB9ANPC1

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
US-20060194854-A1 New 2-substituted - 1,3-thiazole compounds ASTRAZENECA AB (SE) 2006-08-31 US claimed
US-20050119321-A1 2-substituted-1,3-thiazole compounds ASTRAZENECA AB (SE) 2005-06-02 US claimed
EP-1499601-A1 NEW 2-SUBSTITUTED -1,3-THIAZOLE COMPOUNDS AstraZeneca AB (SE) 2005-01-26 EP claimed
WO-2003089419-A1 NEW 2-SUBSTITUTED -1,3-THIAZOLE COMPOUNDS ASTRAZENECA AB (SE) 2003-10-30 WO claimed
US-20180112182-A1 HIGH-THROUGHPUT IMAGE-BASED CHEMICAL SCREENING IN ZEBRAFISH BLASTOMERE CELL CULTURE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-04-26 US disclosed
US-9771560-B2 High-throughput image-based chemical screening in zebrafish blastomere cell culture CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-09-26 US disclosed
US-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 US disclosed
US-20150147807-A1 HIGH-THROUGHPUT IMAGE-BASED CHEMICAL SCREENING IN ZEBRAFISH BLASTOMERE CELL CULTURE HOWARD HUGHES MEDICAL INSTITUTE 2015-05-28 US disclosed
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 US disclosed
WO-2010048273-A2 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-29 WO disclosed
US-20060194854-A1 New 2-substituted - 1,3-thiazole compounds ASTRAZENECA AB (SE) 2006-08-31 US disclosed
US-20050119321-A1 2-substituted-1,3-thiazole compounds ASTRAZENECA AB (SE) 2005-06-02 US disclosed
EP-1499601-A1 NEW 2-SUBSTITUTED -1,3-THIAZOLE COMPOUNDS AstraZeneca AB (SE) 2005-01-26 EP disclosed
WO-2003089419-A1 NEW 2-SUBSTITUTED -1,3-THIAZOLE COMPOUNDS ASTRAZENECA AB (SE) 2003-10-30 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 (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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM KMT2A 2164/4885MEN1 3062/4885MAPT 35/4885
US-20060194854-A1 New 2-substituted - 1,3-thiazole compounds NR3C2, NR4A2, NR0B1 KMT2A 4047/4885MEN1 2756/4885MAPT 2331/4885
US-20050119321-A1 2-substituted-1,3-thiazole compounds NR3C2, NR4A2, NR4A3 KMT2A 3948/4885MEN1 2053/4885MAPT 2301/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA KMT2A 2000/4885MEN1 3882/4885MAPT 20/4885

“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.