SCHEMBL530515

SCHEMBL530515

CCN(CC)C(=O)C(NC1CCCCC1)c1cnc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
TRPV1 Q8NER1 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
HPGDS O60760 1/20 0.39
FAAH O00519 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
BDKRB2 P30411 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
SCHEMBL530519 0.75 TRPV1 (0.46) RAB9AHSD17B10LMNAPOLBTSHR
SCHEMBL530207 0.74 TRPV1 (0.46) RAB9AHSD17B10LMNATRPV1NPC1
SCHEMBL15194830 0.74 NPC1 (0.42) RAB9AHSD17B10LMNATRPV1NPC1
SCHEMBL3184201 0.73 TRPV1 (0.48) RAB9ALMNAPOLBTSHRTRPV1
SCHEMBL10154200 0.73 TRPV1 (0.46) RAB9AHSD17B10TRPV1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL530297 0.73 TRPV1 (0.45) RAB9AHSD17B10LMNATRPV1NPC1
SCHEMBL15194826 0.72 TRPV1 (0.47) RAB9ALMNAPOLBTSHRTRPV1
SCHEMBL15194828 0.70 TRPV1 (0.49) RAB9AHSD17B10TRPV1NPC1SMN1; SMN2
SCHEMBL530517 0.67 RAB9A (0.49) RAB9AHSD17B10LMNAPOLBTSHR
SCHEMBL530206 0.67 EPHX2 (0.59) RAB9ALMNAPOLBTRPV1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO 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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 RAB9A 1502/4885HSD17B10 3462/4885LMNA 2106/4885

“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.