SCHEMBL370664

SCHEMBL370664

C=CCNc1cccc(C(=O)CN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
FFAR1 O14842 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNE1 P24864 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR3 P49019 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38

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 0.86 AKR1C3 (0.45) AKR1C3FFAR1KDM4ENPC1RAB9A
SCHEMBL877659 0.83 AKR1C3 (0.59) AKR1C3FFAR1KDM4ENPC1RAB9A
SCHEMBL11075790 0.82 NR4A2 (0.49) AKR1C3FFAR1KDM4ENPC1RAB9A
SCHEMBL370685 0.81 HCAR3 (0.44) AKR1C3FFAR1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL11068211 0.80 FFAR1 (0.43) AKR1C3FFAR1KDM4ENPC1RAB9A
SCHEMBL11064077 0.79 TP53 (0.43) AKR1C3FFAR1KDM4ENPC1RAB9A
SCHEMBL11073671 0.79 EGFR (0.54) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL11073077 0.77 HSD11B1 (0.53) AKR1C3KDM4ENPC1RAB9ACA1
SCHEMBL728274 0.76 CA12 (0.47) KDM4ERAB9ALMNAGAACA1
SCHEMBL6846999 0.76 HDAC8 (0.55) AKR1C3FFAR1KDM4ENPC1RAB9A

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
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 AKR1C3 313/4885FFAR1 2101/4885KDM4E 4748/4885

“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.