SCHEMBL19182079

SCHEMBL19182079

O=c1c(/C=N/O)coc2cnc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAOA P21397 11/20 0.44
▸ MAOB P27338 11/20 0.44
▸ HTT P42858 2/20 0.42
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ THRB P10828 1/20 0.38

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
SCHEMBL19182080 1.00 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMAOAMAOB
SCHEMBL19182281 0.82 PTPN1 (0.59) ALDH1A1MAPTLMNAMAOAMAOB
SCHEMBL28318700 0.77 ALDH1A1 (0.70) ALDH1A1MAPTLMNAMAOAMAOB
SCHEMBL19182263 0.75 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMAOAMAOB
SCHEMBL19196841 0.75 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMAOAMAOB
SCHEMBL19182262 0.75 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMAOAMAOB
SCHEMBL19180463 0.74 MAPT (0.67) ALDH1A1MAPTLMNAMAOAMAOB
SCHEMBL19180460 0.74 MAPT (0.67) ALDH1A1MAPTLMNAMAOAMAOB
SCHEMBL19182131 0.70 ALDH1A1 (0.42) ALDH1A1PTPN1
SCHEMBL20917027 0.65 ALDH1A1 (0.37) ALDH1A1MAPTLMNAHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3407974-A1 AMLEXANOX ANALOGS The Regents Of The University Of Michigan (US) 2018-12-05 — — EP disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — US disclosed
WO-2017132538-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-03 — — 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-20170217980-A1 AMLEXANOX ANALOGS GPR119, GLP1R, IRS1 ALDH1A1 1946/4885MAPT 4441/4885LMNA 1424/4885

“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.

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