SCHEMBL19699673

SCHEMBL19699673

CCOc1cnc(NC(=O)Cc2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
DEGS1 O15121 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
CACNA1G O43497 1/20 0.52
CACNA1H O95180 1/20 0.52
CACNA1I Q9P0X4 1/20 0.52
RPS27 P42677 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.49
CCKBR P32239 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL17778922 0.81 ADORA3 (0.45) HSD17B10NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14639075 0.79 MAPT (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL16776510 0.78 FAAH (0.45) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL32672176 0.78 FAAH (0.45) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL17776548 0.76 MAPK8 (0.58) KMT2AMEN1MAPK8MAPK9LMNA
SCHEMBL22607250 0.74 KMT2A (0.84) HSD17B10DEGS1NPC1RAB9ASMN1; SMN2
SCHEMBL30899659 0.74 HSD17B10 (0.49) HSD17B10NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12134901 0.74 WNT3A (0.69) HSD17B10DEGS1NPC1RAB9ASMN1; SMN2
SCHEMBL26736575 0.73 GLS (0.64) DEGS1NPC1RAB9ACCNE1CDK2
SCHEMBL20284048 0.73 DEGS1 (1.00) HSD17B10DEGS1NPC1RAB9ASMN1; SMN2

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 HSD17B10 1577/4885DEGS1 4305/4885NPC1 3073/4885

“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.