SCHEMBL455622

SCHEMBL455622

Cc1ccc[c]c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 5/20 0.48
HSD17B10 Q99714 2/20 0.47
TSHR P16473 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ACHE P22303 2/20 0.35
CYP3A4 P08684 3/20 0.34
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 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
SCHEMBL6194126 0.83 HSD17B10 (0.44) ALDH1A1TDP1HSD17B10TSHRSMN1; SMN2
SCHEMBL29052275 0.78 ALDH1A1 (0.41) ALDH1A1TDP1HSD17B10TSHRSMN1; SMN2
SCHEMBL8124153 0.77 ALDH1A1 (0.47) ALDH1A1TDP1HSD17B10TSHRSMN1; SMN2
SCHEMBL33832 0.77 TDP1 (0.46) ALDH1A1TDP1HSD17B10TSHRSMN1; SMN2
SCHEMBL7136437 0.77 TDP1 (0.46) ALDH1A1TDP1HSD17B10TSHRSMN1; SMN2
SCHEMBL58862 0.76 MEN1 (0.36) ALDH1A1TDP1HSD17B10TSHRSMN1; SMN2
SCHEMBL457836 0.75 TSHR (0.44) ALDH1A1TDP1HSD17B10TSHRSMN1; SMN2
SCHEMBL1179579 0.75 PDE7A (0.35) ALDH1A1TDP1TSHRLMNAMAPT
SCHEMBL3042315 0.75 GPR35 (0.42) ALDH1A1HSD17B10TSHRSMN1; SMN2L3MBTL1
SCHEMBL6129444 0.75 SMN1; SMN2 (0.38) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3380457-A1 MONOSULFONIC PHENYLTETRAZOLE COMPOUNDS WITH APPLICATIONS Hangzhou Jennifer Biotech Co., Ltd. (CN) 2018-10-03 EP claimed
US-20180244637-A1 MONOSULFONIC PHENYLTETRAZOLE COMPOUNDS WITH APPLICATIONS HANGZHOU JENNIFER BIOTECH CO., LTD. (CN) 2018-08-30 US claimed
WO-2017080443-A1 MONOSULFONIC PHENYLTETRAZOLE COMPOUNDS WITH APPLICATIONS HANGZHOU JENNIFER BIOTECH CO., LTD. (CN) 2017-05-18 WO claimed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US claimed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US claimed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US claimed
CN-102256944-A Sphingosine-1-phosphate receptor antagonists EXELIXIS INC 2011-11-23 CN claimed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US claimed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP claimed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US claimed
EP-0025190-A2 Chromogenic compounds and their use as enzymatic substrates BEHRINGWERKE Aktiengesellschaft (DE) 1981-03-18 EP claimed
US-4244865-A α hydroxy tripeptide substrates ABBOTT LABORATORIES (US) 1981-01-13 US claimed
US-4219497-A Chromogenic substrates ABBOTT LABORATORIES (US) 1980-08-26 US claimed
US-4217269-A FOR SPECTROPHOTOMETRIC MEASUREMENT OF PROTEOLYTIC ENZYMES ABBOTT LABORATORIES (US) 1980-08-12 US claimed
US-4072576-A Method for studying enzymatic and other biochemical reactions AB KABI (SW) 1978-02-07 US claimed
US-4060623-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US claimed
US-4038404-A 1,2,4-TRIAZOLE ANTIMYCOTIC COMPOSITIONS AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US claimed
US-4036966-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
US-4036967-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
US-4010162-A Substituted phenanthroline pigments ALLIED CHEMICAL CORPORATION (US) 1977-03-01 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 (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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 ALDH1A1 4114/4885TDP1 2286/4885HSD17B10 3394/4885
US-20180244637-A1 MONOSULFONIC PHENYLTETRAZOLE COMPOUNDS WITH APPLICATIONS TST, MPST, SQOR ALDH1A1 159/4885TDP1 1942/4885HSD17B10 849/4885

“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.