SCHEMBL370685

SCHEMBL370685

C=CCNc1cccc(C(=O)C[N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.44
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
AKR1C3 P42330 1/20 0.41
FFAR1 O14842 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
PAX8 Q06710 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL10832665 0.82 AKR1C3 (0.45) HCAR3CCNA2CDK2AKR1C3FFAR1
SCHEMBL370664 0.81 AKR1C3 (0.44) HCAR3CCNA2CDK2AKR1C3FFAR1
SCHEMBL877659 0.79 AKR1C3 (0.59) HCAR3AKR1C3FFAR1NPC1RAB9A
SCHEMBL11075790 0.79 NR4A2 (0.49) HCAR3AKR1C3FFAR1NPC1RAB9A
SCHEMBL8752521 0.77 SMN1; SMN2 (0.57) NPC1RAB9AMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL11068211 0.77 FFAR1 (0.43) HCAR3CCNA2CDK2AKR1C3FFAR1
SCHEMBL11064077 0.76 TP53 (0.43) AKR1C3FFAR1NPC1RAB9AKDM4E
SCHEMBL11073671 0.75 EGFR (0.54) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL11073077 0.74 HSD11B1 (0.53) AKR1C3NPC1RAB9AKDM4EKMT2A
SCHEMBL11642511 0.73 HCAR3 (0.45) HCAR3RAB9AKDM4EMAPTLMNA

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 HCAR3 352/4885CCNA2 98/4885CDK2 621/4885

“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.