SCHEMBL1046876

SCHEMBL1046876

CCCNc1ccccc1Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2CCO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.45
MAPT P10636 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 4/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
CHRM1 P11229 1/20 0.40
TP53 P04637 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
SCHEMBL1044567 0.89 MAPT (0.45) TOP1MAPTRXFP1KDM4EALDH1A1
SCHEMBL1045955 0.86 KDM4E (0.47) MAPTRXFP1KDM4EALDH1A1HPGD
SCHEMBL1042896 0.84 LMNA (0.48) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL1046002 0.82 LMNA (0.46) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL3263601 0.81 KDM4E (0.41) MAPTRXFP1KDM4EALDH1A1HPGD
SCHEMBL1044962 0.81 GAA (0.51) MAPTALDH1A1CNR2LMNAPOLB
SCHEMBL1044543 0.81 LMNA (0.46) TOP1MAPTKDM4EALDH1A1HPGD
SCHEMBL1044465 0.81 LMNA (0.46) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL1046189 0.81 TP53 (0.47) MAPTRXFP1KDM4EALDH1A1HPGD
SCHEMBL1043877 0.81 KDM4E (0.43) MAPTRXFP1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 EP claimed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 EP claimed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 EP claimed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
EP-4059923-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2022-09-21 EP disclosed
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2020-04-02 US disclosed
EP-3406596-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2018-11-28 EP disclosed
US-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. 2015-06-25 US disclosed
US-20130172344-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. 2013-07-04 US disclosed
US-8232401-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2012-07-31 US disclosed
EP-2272516-A2 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor Japan Tobacco, Inc. (JP) 2011-01-12 EP disclosed
EP-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 EP disclosed
EP-2161258-A2 4-oxoquinoline compound and use thereof as hiv integrase inhibitor Japan Tabacco Inc. (JP) 2010-03-10 EP disclosed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 EP disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 US disclosed
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-09-28 US disclosed
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors SHIONOGI & CO., LTD. (JP) 2005-10-27 US disclosed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 EP 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 (6 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-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 TOP1 303/4885MAPT 3144/4885RXFP1 4752/4885
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 TOP1 303/4885MAPT 3144/4885RXFP1 4752/4885
US-20130172344-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, CDKL4, IMPDH2 TOP1 192/4885MAPT 3082/4885RXFP1 4800/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT TOP1 325/4885MAPT 2829/4885RXFP1 4744/4885
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, CDKL4, IMPDH2 TOP1 192/4885MAPT 3082/4885RXFP1 4800/4885
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors IMPDH1, IMPDH2, TYMP TOP1 146/4885MAPT 3351/4885RXFP1 4811/4885

“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.