SCHEMBL339940

SCHEMBL339940

COc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2C(C)=O)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.62
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GFER P55789 2/20 0.56
AHR P35869 1/20 0.56
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TP53 P04637 3/20 0.52
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
BRPF1 P55201 3/20 0.48
BRD4 O60885 2/20 0.48
BRD1 O95696 2/20 0.48
POLB P06746 2/20 0.48
TAF1 P21675 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
SCHEMBL340604 0.91 RAB9A (0.56) RXFP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL340111 0.90 RXFP1 (0.72) RXFP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL341092 0.82 KMT2A (0.57) RXFP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL339593 0.81 BRPF1 (0.60) RXFP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL339293 0.79 LRRK2 (0.63) RXFP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL340622 0.78 MAPT (0.68) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15528460 0.77 RXFP1 (1.00) RXFP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL341071 0.76 ALDH1A1 (0.48) RXFP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL341059 0.75 MEN1 (0.61) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL29603751 0.73 GAA (0.70) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 EP disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 RXFP1 3003/4885NPC1 874/4885RAB9A 546/4885

“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.