SCHEMBL244649

SCHEMBL244649

Cc1ccc2cc(O)c(Cl)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
MAPT P10636 1/20 0.43
PGK1 P00558 1/20 0.42
METAP2 P50579 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
STAT3 P40763 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 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
SCHEMBL2717077 0.84 CYP1A2 (0.56) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL16190062 0.84 CYP1A2 (0.56) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL9186322 0.80 CYP1A2 (0.52) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL244724 0.80 CYP1A2 (0.52) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL3967647 0.80 TSHR (0.41) KDM4EPGK1ALDH1A1GAAHPGD
SCHEMBL23797305 0.77 CYP1A2 (0.48) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL4052149 0.77 CYP1A2 (0.48) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL10259445 0.76 CYP1A2 (0.68) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL25105737 0.76 CYP1A2 (0.52) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL245893 0.74 CYP1A2 (0.46) CYP1A2KDM4ELMNAPOLBCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
CN-103209963-A 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES INC 2013-07-17 CN disclosed
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 CYP1A2 1018/4885KDM4E 2264/4885LMNA 3491/4885

“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.