SCHEMBL340604

SCHEMBL340604

COc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(C)=O)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 7/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HCRTR1 O43613 1/20 0.54
MAPT P10636 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
BRPF1 P55201 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL339940 0.91 RXFP1 (0.62) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL339593 0.91 BRPF1 (0.60) RAB9ANPC1MEN1KMT2AHCRTR1
SCHEMBL340278 0.83 MEN1 (0.58) MEN1KMT2AHCRTR1MAPTALDH1A1
SCHEMBL340111 0.81 RXFP1 (0.72) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL340260 0.80 LRRK2 (0.65) MEN1KMT2AMAPTGAA
SCHEMBL339251 0.78 WDR5 (0.48) RAB9ANPC1MEN1KMT2AHCRTR1
SCHEMBL341625 0.76 MEN1 (0.60) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8559157 0.73 LMNA (0.53) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL341092 0.73 KMT2A (0.57) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL340905 0.72 ALDH1A1 (0.66) NPC1MEN1KMT2AMAPTSMN1; 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 5 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
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
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 RAB9A 546/4885NPC1 874/4885MEN1 2493/4885

“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.