SCHEMBL353942

SCHEMBL353942

C[C@@H](N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 2/20 0.52
ACHE P22303 1/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
PHLPP2 Q6ZVD8 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.47

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
SCHEMBL811522 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10ACHEMAPTTSHR
SCHEMBL352795 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10ACHEMAPTTSHR
Hydrochloric Acid SCHEMBL248092 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10ACHEMAPTTSHR
Hydrochloric Acid SCHEMBL913942 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10ACHEMAPTTSHR
Hydrochloric Acid SCHEMBL913941 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10ACHEMAPTTSHR
Ammonia Solution, Strong SCHEMBL4826153 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10ACHEMAPTTSHR
SCHEMBL30913865 0.94 CA12 (0.53) ALDH1A1HSD17B10ACHEMAPTTSHR
SCHEMBL20303794 0.89 L3MBTL1 (0.58) ALDH1A1HSD17B10MAPTTSHRMAPK1
SCHEMBL21774543 0.89 L3MBTL1 (0.58) ALDH1A1HSD17B10MAPTTSHRMAPK1
SCHEMBL11813645 0.88 LOXL2 (0.70) ALDH1A1HSD17B10ACHEMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US claimed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US claimed
EP-1838690-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY Devgen N.V. (BE) 2007-10-03 EP claimed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP claimed
WO-2006066879-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY DEVGEN N.V. (BE) 2006-06-29 WO claimed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 WO claimed
US-5288900-A Crystallization of optical isomers of leukotriene antagonists using (R)-4-nitro-α-methylbenezenemethonamine SMITHKLINE BEECHAM CORPORATION (US) 1994-02-22 US claimed
EP-0552254-A1 CRYSTALLIZATION OF OPTICAL ISOMERS OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-28 EP claimed
WO-1992005151-A1 CRYSTALLIZATION OF OPTICAL ISOMERS OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO claimed
US-4066658-A RESOLUTION OF D,L-DEHYDROPROLINE HOFFMANN-LA ROCHE INC. (US) 1978-01-03 US claimed
US-3965121-A Salts of the γ-lactone of (-)-threo-hydroxycitric acid with R(+)-α-methyl-p-nitrobenzylamine HOFFMANN-LA ROCHE INC. (US) 1976-06-22 US claimed
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-04-10 US disclosed
EP-4486390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF Terremoto Biosciences, Inc (US) 2025-01-08 EP disclosed
US-12043602-B2 Fendiline derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-23 US disclosed
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-01-11 US disclosed
US-4066658-A RESOLUTION OF D,L-DEHYDROPROLINE HOFFMANN-LA ROCHE INC. (US) 1978-01-03 US disclosed
US-3988349-A Salts of N-formyl-6-chlorotryptophan and α-methyl-p-nitrobenzylamine HOFFMANN-LA ROCHE INC. (US) 1976-10-26 US disclosed
US-3965121-A Salts of the γ-lactone of (-)-threo-hydroxycitric acid with R(+)-α-methyl-p-nitrobenzylamine HOFFMANN-LA ROCHE INC. (US) 1976-06-22 US disclosed
US-3965121-A Salts of the γ-lactone of (-)-threo-hydroxycitric acid with R(+)-α-methyl-p-nitrobenzylamine HOFFMANN-LA ROCHE INC. (US) 1976-06-22 US disclosed
US-3965129-A THREO-EPOXYACONITIC ACID BIS-R(+)-ALPHA-METHYL-P-NITROBENZYLAMINE SALT HOFFMANN-LA ROCHE INC. (US) 1976-06-22 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 (5 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-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF AKT1, AKT1S1, AKT2 ALDH1A1 4472/4885HSD17B10 2922/4885ACHE 3854/4885
US-12043602-B2 Fendiline derivatives CYP11B2, CYP3A7, CYP4F2 ALDH1A1 292/4885HSD17B10 92/4885ACHE 859/4885
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity KCNA4, HCN4, KCNN4 ALDH1A1 2549/4885HSD17B10 2419/4885ACHE 417/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD ALDH1A1 4575/4885HSD17B10 2769/4885ACHE 4835/4885
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family KCNA5, KCNA1, KCNJ2 ALDH1A1 1395/4885HSD17B10 1866/4885ACHE 1630/4885

“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.