SCHEMBL2903740

SCHEMBL2903740

O=C(O)c1cn(C2CC2)c2c(OC(F)F)c(Br)ccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50
TOP2A P11388 6/20 0.45
TOP2B Q02880 6/20 0.45
GSK3B P49841 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4747727 0.87 KCNH2 (0.52) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL2081998 0.86 ADRB2 (0.45) KCNH2GSK3BHPGDALOX15TDP1
SCHEMBL12665502 0.85 KCNH2 (0.53) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL28087665 0.82 KCNH2 (0.35) KCNH2TOP2ATOP2BGSK3B
SCHEMBL3720416 0.80 TOP2A (0.58) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL4714357 0.80 KDM4E (0.49) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL5734714 0.79 TOP2A (0.57) KCNH2TOP2ATOP2BGSK3BKDM4E
Fluoride SCHEMBL5142576 0.78 TOP2A (0.56) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL10330779 0.78 TOP2A (0.56) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL2670762 0.78 KCNH2 (0.46) KCNH2TOP2ATOP2BGSK3BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801482-A Method for preparing 1-cyclopropyl-4-oxo-7-bromine-8-difluoromethoxy-1,4-dihydro-quinoline-3-nonanoic acid-ethyl ester 浙江中欣氟材股份有限公司 2016-07-27 CN disclosed
CN-105777631-A Synthesizing method of 1-cyclopropyl-4-oxo-7-bromo-8-difluoromethoxy-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester 浙江中欣氟材股份有限公司 2016-07-20 CN disclosed
EP-1031569-B1 SALT OF A 7-ISOINDOLINEQUINOLONECARBOXYLIC ACID DERIVATIVE, MONOHYDRATE THEREOF AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT TOYAMA CHEMICAL CO LTD (JP) 2010-03-17 EP disclosed
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
WO-2009131973-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 WO disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
CN-1269817-C Dehalogenated compounds DAIICHI SEIYAKU CO (JP) 2006-08-16 CN disclosed
CN-1486315-A Dehalogenated compounds ��һ��������ҩ��ʽ���� 2004-03-31 CN 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-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS NQO2, QARS1, NQO1 KCNH2 3433/4885TOP2A 65/4885TOP2B 155/4885

“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.