Sugi Predict

Sugi Predict / Compounds / SCHEMBL6841979

SCHEMBL6841979

SCHEMBL6841979

O=C(CCl)Nc1cc(Cl)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL11252461 0.82 MAPT (0.50) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL11257676 0.81 RECQL (0.51) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1800375 0.79 PDK1 (0.42) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL11041589 0.79 MEN1 (0.56) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL1762404 0.78 MAPK1 (0.63) ALDH1A1MAPTRAB9AHTTSMN1; SMN2
SCHEMBL29064908 0.78 RECQL (0.63) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL29263264 0.77 MAPT (0.62) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL31159496 0.77 PKM (0.63) ALDH1A1MAPTRAB9ALMNAHTT
SCHEMBL5901168 0.74 ALDH1A1 (0.44) ALDH1A1MAPTRAB9ALMNAHTT
SCHEMBL10678521 0.74 RAB9A (0.54) ALDH1A1MAPTRAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029937-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents NEUROSEARCH A/S. 2004-02-12 — — US disclosed
US-6624186-B2 Modulators of SKCa, IKCa and BKCa channels. NEUROSEARCH A/S (DK) 2003-09-23 — — US disclosed
US-20020055526-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents NEUROSEARCH A/S (DK) 2002-05-09 — — US disclosed
EP-1144387-A1 NEW BENZIMIDAZOLONE-, BENZOXAZOLONE-, OR BENZOTHIAZOLONE DERIVATIVES AS ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-17 — — EP disclosed
WO-2000034248-A1 NEW BENZIMIDAZOLONE-, BENZOXAZOLONE-, OR BENZOTHIAZOLONE DERIVATIVES AS ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 — — 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 (2 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-20040029937-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents KCNJ2, KCNJ1, KCNJ11 ALDH1A1 3719/4885MAPT 2470/4885RAB9A 4057/4885
US-20020055526-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents KCNJ2, KCNJ1, KCNJ11 ALDH1A1 3719/4885MAPT 2470/4885RAB9A 4057/4885

“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.