SCHEMBL23123761

SCHEMBL23123761

O=[N+]([O-])c1cccc(C2COC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
TSHR P16473 3/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ACHE P22303 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC9A1 P19634 1/20 0.45
HSP90AA1 P07900 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL10046438 0.84 TSHR (0.59) LMNATSHRALDH1A1KDM4EMEN1
SCHEMBL30317990 0.84 TSHR (0.59) LMNATSHRALDH1A1KDM4EMEN1
SCHEMBL177269 0.81 LMNA (0.55) LMNATSHRNPC1RAB9AALDH1A1
SCHEMBL16824940 0.81 LMNA (0.55) LMNATSHRNPC1RAB9AALDH1A1
SCHEMBL346691 0.81 LMNA (0.59) LMNATSHRNPC1RAB9AALDH1A1
SCHEMBL177270 0.81 LMNA (0.55) LMNATSHRNPC1RAB9AALDH1A1
Methyl Alcohol SCHEMBL28323753 0.79 LMNA (0.54) LMNATSHRALDH1A1KDM4EMEN1
SCHEMBL23123610 0.79 CHRNB4 (0.59) LMNATSHRALDH1A1KDM4EMEN1
SCHEMBL7104866 0.79 LMNA (0.50) LMNATSHRALDH1A1KDM4EMEN1
SCHEMBL11821722 0.77 MAPT (0.53) LMNATSHRALDH1A1KDM4EMEN1

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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 CN disclosed
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 LMNA 206/4885TSHR 4313/4885NPC1 20/4885

“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.