SCHEMBL341333

SCHEMBL341333

CN(C)c1ccc2[nH]c(-c3ccccc3OCc3ccccc3)cc(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.44
PDE10A Q9Y233 1/20 0.41
IDO1 P14902 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL26685280 0.85 CTSV (0.54) SRD5A2PDE10AIDO1CTSVCTSL
SCHEMBL339924 0.83 CTSV (0.56) CTSVCTSLHPGDALDH1A1KDM4E
SCHEMBL339145 0.81 HPGD (0.52) HPGDALDH1A1KDM4ELMNANPC1
SCHEMBL339658 0.78 TUBB4A (0.52) ALDH1A1KDM4ETP53MAPT
SCHEMBL26720686 0.77 CTSV (0.59) SRD5A2PDE10ACTSVCTSLHPGD
SCHEMBL340494 0.77 HPGD (0.44) HPGDALDH1A1KDM4ELMNANPC1
SCHEMBL340989 0.76 PIK3CG (0.56) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL26720404 0.76 LMNA (0.55) SRD5A2CTSVCTSLHPGDALDH1A1
SCHEMBL26865915 0.75 CTSV (0.53) SRD5A2CTSVCTSLHPGDALDH1A1
SCHEMBL340615 0.71 CTSV (0.65) SRD5A2CTSVCTSLHPGDALDH1A1

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 SRD5A2 273/4885PDE10A 4874/4885IDO1 544/4885

“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.