SCHEMBL19833069

SCHEMBL19833069

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 7/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRM4 Q14833 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18133735 1.00 NPC1 (0.48) NPC1MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL18130405 0.98 NPC1 (0.47) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL4833185 0.85 NPC1 (0.48) NPC1MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6505122 0.84 NPC1 (0.47) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL2452348 0.81 ALDH1A1 (0.49) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL7105979 0.81 ALDH1A1 (0.49) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL5720945 0.81 ALDH1A1 (0.49) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL18130586 0.78 ALDH1A1 (0.47) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL4075731 0.78 LMNA (0.44) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL30660251 0.78 CYP1A2 (0.44) MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-10676446-B2 Bicyclic quinazolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-09 US disclosed
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-01 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-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 NPC1 2383/4885MEN1 1931/4885KMT2A 2242/4885
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 NPC1 2383/4885MEN1 1931/4885KMT2A 2242/4885
US-10676446-B2 Bicyclic quinazolinone derivatives BRD4, BICRA, NDUFC2 NPC1 2383/4885MEN1 1931/4885KMT2A 2242/4885

“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.