SCHEMBL21546056

SCHEMBL21546056

C/C(=C\c1c[nH]c2ccc(F)cc12)[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.56
CAPN2 P17655 1/20 0.56
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NOTUM Q6P988 1/20 0.42
TSHR P16473 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
MPO P05164 3/20 0.41
HTR2A P28223 2/20 0.41
TDO2 P48775 1/20 0.41
HTR2C P28335 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
SCHEMBL29404592 1.00 CAPN1 (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL19243047 1.00 CAPN1 (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL21546057 1.00 CAPN1 (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL274179 0.89 TDO2 (0.53) CAPN1CAPN2KMT2AKDM4EALDH1A1
SCHEMBL274178 0.89 TDO2 (0.53) CAPN1CAPN2KMT2AKDM4EALDH1A1
SCHEMBL28707222 0.89 TDO2 (0.53) CAPN1CAPN2KMT2AKDM4EALDH1A1
SCHEMBL12113193 0.84 F7 (0.46) KMT2AKDM4EALDH1A1GAAL3MBTL1
SCHEMBL11842039 0.84 F7 (0.46) KMT2AKDM4EALDH1A1GAAL3MBTL1
SCHEMBL11842043 0.84 F7 (0.46) KMT2AKDM4EALDH1A1GAAL3MBTL1
SCHEMBL31451476 0.82 ALDH1A1 (0.60) KMT2AMEN1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326719-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY NOVATARG INC (US) 2025-10-23 US disclosed
US-12371404-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy NOVATARG, INC. (US) 2025-07-29 US disclosed
US-20240327350-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY NOVATARG, INC. 2024-10-03 US disclosed
US-11834411-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy NOVATARG, INC. (US) 2023-12-05 US disclosed
US-20220213036-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY NOVATARG, INC. 2022-07-07 US disclosed
US-11261157-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy NOVATARG, INC. (US) 2022-03-01 US disclosed
US-20190345103-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY NOVATARG, INC. 2019-11-14 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 (7 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-20250326719-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB CAPN1 1177/4885CAPN2 908/4885KMT2A 3151/4885
US-20220213036-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB CAPN1 1177/4885CAPN2 908/4885KMT2A 3151/4885
US-20190345103-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB CAPN1 1177/4885CAPN2 908/4885KMT2A 3151/4885
US-11261157-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy SLC16A7, SLC16A1, HADHB CAPN1 1177/4885CAPN2 908/4885KMT2A 3151/4885
US-11834411-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy SLC16A7, SLC16A1, HADHB CAPN1 1177/4885CAPN2 908/4885KMT2A 3151/4885
US-12371404-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy SLC16A7, SLC16A1, HADHB CAPN1 1177/4885CAPN2 908/4885KMT2A 3151/4885
US-20240327350-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB CAPN1 1177/4885CAPN2 908/4885KMT2A 3151/4885

“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.