SCHEMBL565676

SCHEMBL565676

CCNCc1cnc2c(C)c(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.59
RAB9A P51151 7/20 0.59
MAPT P10636 3/20 0.59
MCHR1 Q99705 9/20 0.59
NPC1 O15118 6/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL10216303 1.00 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AMAPTMCHR1NPC1
SCHEMBL10216312 0.94 MCHR1 (0.58) SMN1; SMN2RAB9AMAPTMCHR1NPC1
SCHEMBL566983 0.94 MCHR1 (0.58) SMN1; SMN2RAB9AMAPTMCHR1NPC1
SCHEMBL566513 0.94 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AMAPTMCHR1NPC1
SCHEMBL10269772 0.94 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AMAPTMCHR1NPC1
SCHEMBL566525 0.94 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AMAPTMCHR1NPC1
SCHEMBL10270226 0.94 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AMAPTMCHR1NPC1
SCHEMBL566510 0.94 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AMAPTMCHR1NPC1
SCHEMBL567139 0.94 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AMAPTMCHR1NPC1
SCHEMBL566523 0.94 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AMAPTMCHR1NPC1

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-8383647-B2 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-26 US disclosed
US-8383647-B2 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-26 US disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2392573-A1 QUINOLINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2011-12-07 EP 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-20120035213-A1 Quinoline derivative MC1R, MCHR1, MCHR2 SMN1; SMN2 3674/4885RAB9A 578/4885MAPT 2656/4885

“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.