SCHEMBL19699563

SCHEMBL19699563

CC(C)C(=O)Nc1cnc(OC[C@H](O)CO)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
AGTR1 P30556 1/20 0.38
ALDH1A1 P00352 6/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
MEN1 O00255 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GABRA5 P31644 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL19699588 1.00 KMT2A (0.42) KMT2ASMN1; SMN2CYP1A2LMNAKDM4E
SCHEMBL19706494 0.85 ADRB2 (0.44) KMT2ASMN1; SMN2CYP1A2LMNAKDM4E
SCHEMBL19706507 0.85 ADRB2 (0.44) KMT2ASMN1; SMN2CYP1A2LMNAKDM4E
SCHEMBL21379432 0.84 CYP1A2 (0.41) KMT2ACYP1A2LMNAKDM4EAGTR1
SCHEMBL19699542 0.82 GABRA5 (0.49) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL19699531 0.82 GABRA5 (0.49) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL19699577 0.81 KMT2A (0.44) KMT2ASMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL19699570 0.81 KMT2A (0.44) KMT2ASMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL19699602 0.77 TSHR (0.39) KMT2ACYP1A2LMNAKDM4EAGTR1
SCHEMBL19699611 0.77 TSHR (0.39) KMT2ACYP1A2LMNAKDM4EAGTR1

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 KMT2A 1922/4885SMN1; SMN2 2016/4885CYP1A2 2450/4885

“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.