SCHEMBL19083815

SCHEMBL19083815

CCOC(=O)CN(CC(C)C)C(=O)c1ccc(OCc2cccnc2)c(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
LRRK2 Q5S007 1/20 0.41
BRD4 O60885 2/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
SMPD1 P17405 1/20 0.39
GNRHR P30968 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TNFRSF1A P19438 1/20 0.38
GPR132 Q9UNW8 1/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL19083720 0.87 LRRK2 (0.46) LRRK2BRD4LMNAALDH1A1THRB
SCHEMBL19075706 0.82 LRRK2 (0.44) LRRK2BRD4LMNAALDH1A1THRB
SCHEMBL19075715 0.80 LRRK2 (0.47) LRRK2BRD4LMNAALDH1A1THRB
SCHEMBL19083717 0.75 NPC1 (0.42) LMNATHRBNPC1RAB9ASMN1; SMN2
SCHEMBL19083999 0.74 HDAC8 (0.50) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19075723 0.68 NPC1 (0.43) BRD4LMNATHRBNPC1RAB9A
SCHEMBL8889868 0.68 ALDH1A1 (0.60) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23317129 0.67 ALDH1A1 (0.59) CYP3A4LMNAALDH1A1NPC1RAB9A
SCHEMBL8889352 0.67 ALDH1A1 (0.62) CYP3A4LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL6963969 0.66 BRD4 (0.48) LRRK2BRD4LMNAALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 CYP3A4 594/4885LRRK2 3077/4885BRD4 1654/4885

“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.