SCHEMBL19196857

SCHEMBL19196857

CCOC(=O)c1cc2c(=O)c3ccc(Br)cc3oc2cc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 6/20 0.70
▸ GABRA1 P14867 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ AKR1B1 P15121 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL19197556 0.83 TBK1 (0.54) TBK1RAB9ANPC1RXFP1AKR1B1
SCHEMBL19180083 0.82 TBK1 (1.00) TBK1RAB9ANPC1RXFP1ALDH1A1
SCHEMBL1187777 0.78 ALDH1A1 (0.60) TBK1GABRA1GABRB1GABRA3GABRB2
SCHEMBL31189997 0.78 ALDH1A1 (0.60) TBK1GABRA1GABRB1GABRA3GABRB2
SCHEMBL19180639 0.76 TBK1 (0.84) TBK1RAB9ANPC1RXFP1KDM4E
Nitrogen SCHEMBL29160619 0.76 ALDH1A1 (0.57) TBK1GABRA1GABRB1GABRA3GABRB2
SCHEMBL3500929 0.75 KDM4E (0.67) TBK1RAB9ANPC1LMNAAKR1B1
SCHEMBL1188377 0.75 ALDH1A1 (0.60) TBK1GABRA1GABRB1GABRA3GABRB2
Hydrochloric Acid SCHEMBL9541525 0.74 ALDH1A1 (0.58) TBK1GABRA1GABRB1GABRA3GABRB2
SCHEMBL30249153 0.73 ALDH1A1 (0.54) TBK1GABRA1GABRB1GABRA3GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — US disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — 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-20170217980-A1 AMLEXANOX ANALOGS GPR119, GLP1R, IRS1 TBK1 494/4885GABRA1 1567/4885GABRB1 825/4885

“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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