SCHEMBL19699487

SCHEMBL19699487

CC(C)C(=O)Nc1cccc2cnncc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.50
TP53 P04637 3/20 0.50
MDM4 O15151 2/20 0.50
LMNA P02545 2/20 0.48
CETP P11597 1/20 0.47
SLC40A1 Q9NP59 1/20 0.44
MDM2 Q00987 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA1 P30542 1/20 0.40

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
SCHEMBL14599188 0.82 KDM4E (0.54) TRPV1LMNASLC40A1KDM4EMAPT
SCHEMBL19699467 0.82 LMNA (0.63) TRPV1LMNAKDM4EMAPT
SCHEMBL171696 0.80 KDM4E (0.62) TP53MDM4LMNACETPKDM4E
SCHEMBL19977097 0.80 CYP2C19 (0.48) TRPV1LMNAKDM4EMAPT
SCHEMBL11737069 0.79 MDM4 (0.63) TRPV1TP53MDM4LMNACETP
SCHEMBL17778730 0.78 TRPV1 (0.50) TRPV1KDM4EMAPTCASP1CASP7
SCHEMBL12284605 0.76 TP53 (0.59) TP53MDM4LMNACETPSLC40A1
SCHEMBL26885010 0.74 TRPV1 (0.54) TRPV1TP53MDM4LMNACETP
SCHEMBL26885018 0.74 RAB9A (0.51) TRPV1TP53MDM4LMNACETP
SCHEMBL26885106 0.74 TRPV1 (0.50) TRPV1TP53MDM4LMNACETP

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 1 patent. 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

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 TRPV1 4032/4885TP53 350/4885MDM4 3300/4885

“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.