SCHEMBL19083717

SCHEMBL19083717

CCOC(=O)CN(C)C(=O)c1ccc(OCc2ccncc2)c(OCC)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
NAMPT P43490 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 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
SCHEMBL19075723 0.90 NPC1 (0.43) NPC1RAB9AHSD17B10KDM4ELMNA
SCHEMBL19083716 0.89 NPC1 (0.41) NPC1RAB9AHSD17B10KDM4ELMNA
SCHEMBL19083720 0.88 LRRK2 (0.46) NPC1HSD17B10KDM4ELMNAL3MBTL1
SCHEMBL19075715 0.78 LRRK2 (0.47) NPC1HSD17B10LMNAL3MBTL1NPSR1
SCHEMBL19083815 0.75 CYP3A4 (0.41) NPC1RAB9AHSD17B10KDM4ELMNA
SCHEMBL8292210 0.74 CYP1A2 (0.56) NPC1RAB9ALMNANPSR1MEN1
SCHEMBL4279981 0.70 HSD17B10 (0.61) NPC1RAB9AHSD17B10KDM4ELMNA
SCHEMBL2815273 0.69 MRGPRX4 (0.71) NPC1RAB9AMAPTPOLBHTT
SCHEMBL8889267 0.69 MRGPRX4 (0.64) NPC1RAB9ASMN1; SMN2
SCHEMBL30038114 0.69 HTT (0.50) HSD17B10KDM4ELMNAL3MBTL1NPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 US disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
US-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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 (5 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 NPC1 1736/4885RAB9A 915/4885HSD17B10 2827/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 NPC1 1736/4885RAB9A 915/4885HSD17B10 2827/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 NPC1 1736/4885RAB9A 915/4885HSD17B10 2827/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 NPC1 1736/4885RAB9A 915/4885HSD17B10 2827/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 NPC1 1736/4885RAB9A 915/4885HSD17B10 2827/4885

“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.