Sugi Predict

Sugi Predict / Compounds / SCHEMBL19699564

SCHEMBL19699564

SCHEMBL19699564

CC(C)C(=O)Nc1ccc(OC[C@@H](O)CO)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAPK8 P45983 1/20 0.33

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
SCHEMBL19728690 1.00 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL19736278 0.89 KDM4E (0.40) ALDH1A1LMNAMAPK1RAB9ANPC1
SCHEMBL19706512 0.86 MAPK8 (0.40) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL19736276 0.86 MAPK8 (0.40) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL19699549 0.81 MAPK8 (0.49) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL19699584 0.81 MAPK8 (0.49) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL19699567 0.80 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL19699568 0.80 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL19699535 0.79 PRKD3 (0.38) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL19699542 0.79 GABRA5 (0.49) ALDH1A1LMNAMAPTRAB9ANPC1

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
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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 (3 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 993/4885LMNA 3510/4885MAPK1 1307/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885LMNA 3512/4885MAPK1 1369/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885LMNA 3512/4885MAPK1 1369/4885

“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.