SCHEMBL2530480

SCHEMBL2530480

NC(=O)c1ccccc1N=Cc1ccc([N+](=O)[O-])o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.64
▸ HPGD P15428 7/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ RAB9A P51151 4/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ KDM4E B2RXH2 7/20 0.57
▸ LMNA P02545 7/20 0.57
▸ MAPT P10636 5/20 0.57
▸ CYP3A4 P08684 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ SARM1 Q6SZW1 1/20 0.56
▸ MITF O75030 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54

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
SCHEMBL2530478 1.00 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL30824636 1.00 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27424077 0.82 LMNA (0.58) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL10090702 0.78 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL10090684 0.76 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL10090703 0.74 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
Nifuroxime SCHEMBL465512 0.73 LMNA (0.76) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
Nifuroxime SCHEMBL465511 0.73 LMNA (0.76) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
Nifuroxime SCHEMBL5025023 0.73 LMNA (0.76) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL30307314 0.73 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 — — US claimed
WO-2007087424-A2 METHOD OF TREATING KCNQ RELATED DISORDERS USING ORGANOZINC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2007-08-02 — — WO claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 — — EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 — — EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 — — 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 (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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 ALDH1A1 2097/4885HPGD 1665/4885SMN1; SMN2 1636/4885

“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.

Send feedback