SCHEMBL5201413

SCHEMBL5201413

NC(CO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 3/20 0.48
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRM4 Q14833 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MARS2 Q96GW9 1/20 0.48
CYP2C19 P33261 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CES1 P23141 1/20 0.44
MEN1 O00255 1/20 0.44

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
Hydrochloric Acid SCHEMBL23727819 0.98 ALDH1A1 (0.51) ALDH1A1TSHRGRM8GRM6GRM4
SCHEMBL4754819 0.85 ALDH1A1 (0.50) ALDH1A1TSHRGRM8GRM6GRM4
SCHEMBL18833848 0.82 LOXL2 (0.53) ALDH1A1TSHRGRM8GRM6GRM4
SCHEMBL942066 0.82 LOXL2 (0.53) ALDH1A1TSHRGRM8GRM6GRM4
SCHEMBL894479 0.81 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4LOXL2KDM4E
Hydrochloric Acid SCHEMBL1820970 0.81 LOXL2 (0.52) ALDH1A1TSHRGRM8GRM6GRM4
SCHEMBL895913 0.81 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4LOXL2KDM4E
SCHEMBL43298 0.81 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4LOXL2KDM4E
SCHEMBL6690598 0.81 LOXL2 (0.52) ALDH1A1TSHRGRM8GRM6GRM4
Hydrochloric Acid SCHEMBL11740245 0.81 LOXL2 (0.52) ALDH1A1TSHRGRM8GRM6GRM4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 WO disclosed
EP-1819672-A1 INDOLE-2-CARBOXYLIC ACID AMIDES Prosidion Limited (GB) 2007-08-22 EP disclosed
WO-2006056815-A1 INDOLE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2006-06-01 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 (1 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 4472/4885TSHR 3503/4885GRM8 3594/4885

“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.