SCHEMBL26670972

SCHEMBL26670972

O=C1NCCC1COc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
RECQL P46063 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 8/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SCD O00767 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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
SCHEMBL3803035 0.77 NPC1 (0.64) RAB9ANPC1RECQLSMN1; SMN2KMT2A
SCHEMBL11394180 0.77 NPC1 (0.55) RAB9ANPC1RECQLSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL1475434 0.76 NPC1 (0.54) RAB9ANPC1RECQLSMN1; SMN2KMT2A
SCHEMBL1340780 0.75 NPC1 (0.60) RAB9ANPC1RECQLSMN1; SMN2KMT2A
SCHEMBL3808783 0.72 NPC1 (0.60) RAB9ANPC1RECQLSMN1; SMN2KMT2A
SCHEMBL4211458 0.72 NPC1 (0.60) RAB9ANPC1RECQLSMN1; SMN2KMT2A
SCHEMBL4211452 0.72 NPC1 (0.60) RAB9ANPC1RECQLSMN1; SMN2KMT2A
SCHEMBL31729987 0.71 ALDH1A1 (0.42) RAB9ANPC1RECQLSMN1; SMN2KMT2A
SCHEMBL8809242 0.71 RAB9A (0.58) RAB9ANPC1RECQLSMN1; SMN2KMT2A
SCHEMBL31094269 0.70 NPC1 (0.50) RAB9ANPC1RECQLSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346592-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION 2025-11-13 US disclosed
EP-4531849-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2025-04-09 EP disclosed
CN-119604287-A Heterocyclic PAD4 inhibitors 细胞基因公司 2025-03-11 CN disclosed
WO-2023230609-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2023-11-30 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-20250346592-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI6, PADI2 RAB9A 4548/4885NPC1 3838/4885RECQL 210/4885

“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.