SCHEMBL352795

SCHEMBL352795

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
SCHEMBL353942 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10ACHEMAPTTSHR
SCHEMBL811522 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 253 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119035-A RIPK1 kinase target inhibitor and preparation method and application thereof 中山大学 2024-12-13 CN claimed
CN-118084733-A Preparation method of key intermediate for synthesizing tubulin inhibitor 重庆皓元生物制药有限公司 2024-05-28 CN claimed
CN-1705639-A Synthesis of intermediates useful in the synthesis of tubulin inhibitors WYETH CORP (US) 2005-12-07 CN claimed
US-6951955-B2 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION (US) 2005-10-04 US claimed
EP-1539682-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS Wyeth Holdings Corporation (US) 2005-06-15 EP claimed
WO-2004026814-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO claimed
US-20040063904-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION 2004-04-01 US claimed
EP-0618213-B1 Process for preparation of oxyglutaric acid ester derivatives UBE INDUSTRIES (JP) 2000-05-17 EP claimed
US-5717124-A Process for preparation of oxyglutaric acid ester derivatives UBE INDUSTRIES, LTD. (JP) 1998-02-10 US claimed
EP-0618213-A1 Process for preparation of oxyglutaric acid ester derivatives UBE INDUSTRIES, LTD. (JP) 1994-10-05 EP claimed
US-4066658-A RESOLUTION OF D,L-DEHYDROPROLINE HOFFMANN-LA ROCHE INC. (US) 1978-01-03 US claimed
US-3988349-A Salts of N-formyl-6-chlorotryptophan and α-methyl-p-nitrobenzylamine HOFFMANN-LA ROCHE INC. (US) 1976-10-26 US claimed
JP-6192277-A None JP disclosed
US-12465588-B2 Indole carboxamide derivative and pharmaceutical composition containing same KUKJE PHARMA CO., LTD. (KR) 2025-11-11 US disclosed
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-04-10 US disclosed
CN-114302874-B Indole carboxamide derivatives and pharmaceutical compositions containing the same 国际药品株式会社 2025-02-25 CN 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-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 (3 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-12465588-B2 Indole carboxamide derivative and pharmaceutical composition containing same PTGES, PTGES2, PTGS1 ALDH1A1 331/4885HSD17B10 742/4885ACHE 31/4885
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF AKT1, AKT1S1, AKT2 ALDH1A1 4472/4885HSD17B10 2922/4885ACHE 3854/4885
US-20040063904-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors TUBB1, TUBA1C, TUBB ALDH1A1 787/4885HSD17B10 1602/4885ACHE 3901/4885

“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.