SCHEMBL19699577

SCHEMBL19699577

CC(C)C(=O)Nc1cncc(OC[C@@H](O)CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
AKT1 P31749 2/20 0.40
DYRK1A Q13627 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GSK3B P49841 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1B P49286 1/20 0.37
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL19699570 1.00 KMT2A (0.44) KMT2AAKT1DYRK1ATSHRMAPK1
SCHEMBL19706543 0.87 RAB9A (0.46) KMT2AAKT1TSHRMAPK1MAPT
SCHEMBL19706532 0.87 RAB9A (0.46) KMT2AAKT1TSHRMAPK1MAPT
SCHEMBL19699563 0.81 KMT2A (0.42) KMT2AMAPTALDH1A1SMN1; SMN2MTNR1B
SCHEMBL19699588 0.81 KMT2A (0.42) KMT2AMAPTALDH1A1SMN1; SMN2MTNR1B
SCHEMBL19699611 0.79 TSHR (0.39) KMT2ATSHRMAPK1MAPTALDH1A1
SCHEMBL19699602 0.79 TSHR (0.39) KMT2ATSHRMAPK1MAPTALDH1A1
SCHEMBL19728700 0.79 TSHR (0.38) KMT2ATSHRMAPK1MAPTALDH1A1
SCHEMBL19728701 0.79 TSHR (0.38) KMT2ATSHRMAPK1MAPTALDH1A1
SCHEMBL19699531 0.78 GABRA5 (0.49) KMT2AMAPTALDH1A1SMN1; SMN2MEN1

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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 (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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1922/4885AKT1 3558/4885DYRK1A 3048/4885

“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.