SCHEMBL19699558

SCHEMBL19699558

CC(C)Oc1cncc(NC(=O)C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
ADORA3 P0DMS8 4/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
GRM5 P41594 1/20 0.36
DYRK1A Q13627 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
SCHEMBL17778481 0.86 MAPK8 (0.43) CHEK1ADORA3LPAR1LPAR3KDM4E
SCHEMBL19699498 0.86 SCN10A (0.44) CHEK1ALDH1A1LMNAMAPTADORA3
SCHEMBL17778558 0.82 CHEK1 (0.40) CHEK1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL19699474 0.82 MAPK8 (0.46) CHEK1ALDH1A1LMNACYP2C19MAPT
SCHEMBL19699607 0.80 ADORA3 (0.40) CHEK1ALDH1A1LMNACYP2C19MAPT
SCHEMBL19699593 0.79 ADORA3 (0.37) CHEK1ALDH1A1LMNACYP2C19MAPT
SCHEMBL19699490 0.77 ADORA3 (0.41) ALDH1A1CYP2C19MAPTADORA3ADORA2A
SCHEMBL19699576 0.76 MAPT (0.37) CHEK1ALDH1A1LMNACYP2C19MAPT
SCHEMBL19699495 0.76 PRKD3 (0.37) CHEK1ALDH1A1LMNACYP2C19MAPT
SCHEMBL19699574 0.76 MAPT (0.37) CHEK1ALDH1A1LMNACYP2C19MAPT

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-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
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 (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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHEK1 919/4885ALDH1A1 993/4885LMNA 3510/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHEK1 915/4885ALDH1A1 1067/4885LMNA 3512/4885

“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.