SCHEMBL1394820

SCHEMBL1394820

CC(C(=O)Nc1ncc([N+](=O)[O-])s1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATG4B Q9Y4P1 3/20 0.58
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ LMNA P02545 5/20 0.55
▸ MAPT P10636 4/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ HTT P42858 3/20 0.52
▸ PKM P14618 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ STAT3 P40763 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ CDK2 P24941 1/20 0.49
▸ MLNR O43193 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ADRB2 P07550 1/20 0.48

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
SCHEMBL881749 0.79 STAT3 (0.77) ATG4BMEN1KMT2AALDH1A1LMNA
SCHEMBL881769 0.78 MEN1 (0.76) ATG4BMEN1KMT2AALDH1A1LMNA
SCHEMBL27713666 0.77 FFAR2 (0.71) ATG4BMEN1KMT2AALDH1A1LMNA
SCHEMBL5836187 0.76 CDK2 (0.67) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL18529275 0.74 ATG4B (1.00) ATG4BCDK2
Nithiamide SCHEMBL158858 0.73 NPC1 (0.63) ATG4BMEN1KMT2AALDH1A1LMNA
SCHEMBL25063115 0.73 STAT3 (0.67) ATG4BMEN1KMT2AALDH1A1LMNA
SCHEMBL29056971 0.73 MEN1 (0.52) ATG4BMEN1KMT2AALDH1A1LMNA
SCHEMBL12974224 0.71 STAT3 (0.75) ATG4BMEN1KMT2AALDH1A1LMNA
SCHEMBL25063151 0.71 STAT3 (0.64) MEN1KMT2AALDH1A1LMNAMAPT

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
EP-2825637-A1 HIGH-THROUGHPUT IMAGE-BASED CHEMICAL SCREENING IN ZEBRAFISH BLASTOMERE CELL CULTURE Children's Medical Center Corporation (US) 2015-01-21 — — EP claimed
WO-2013138623-A1 HIGH-THROUGHPUT IMAGE-BASED CHEMICAL SCREENING IN ZEBRAFISH BLASTOMERE CELL CULTURE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2013-09-19 — — WO claimed
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 ATG4B 2074/4885MEN1 3062/4885KMT2A 2164/4885
US-20060194854-A1 New 2-substituted - 1,3-thiazole compounds NR3C2, NR4A2, NR0B1 ATG4B 3617/4885MEN1 2756/4885KMT2A 4047/4885
US-20050119321-A1 2-substituted-1,3-thiazole compounds NR3C2, NR4A2, NR4A3 ATG4B 3788/4885MEN1 2053/4885KMT2A 3948/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA ATG4B 1474/4885MEN1 3882/4885KMT2A 2000/4885

“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.

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