SCHEMBL246244

SCHEMBL246244

Cc1cc2ncccc2cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
CASP1 P29466 2/20 0.53
MEN1 O00255 1/20 0.53
CASP7 P55210 1/20 0.53
KMT2A Q03164 1/20 0.53
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
STAT3 P40763 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CASP6 P55212 1/20 0.44
HTT P42858 3/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL5542743 0.92 ALDH1A1 (0.53) ALDH1A1CASP1MEN1CASP7KMT2A
SCHEMBL8404544 0.84 ALDH1A1 (0.61) ALDH1A1CASP1MEN1CASP7KMT2A
SCHEMBL31186675 0.84 ALDH1A1 (0.61) ALDH1A1CASP1MEN1CASP7KMT2A
SCHEMBL7748018 0.84 ALDH1A1 (0.61) ALDH1A1CASP1MEN1CASP7KMT2A
Hydrochloric Acid SCHEMBL28692703 0.82 ALDH1A1 (0.59) ALDH1A1CASP1MEN1CASP7KMT2A
Bromide SCHEMBL3267271 0.82 ALDH1A1 (0.59) ALDH1A1CASP1MEN1CASP7KMT2A
SCHEMBL29953663 0.78 ALDH1A1 (0.50) ALDH1A1CASP1MEN1CASP7KMT2A
SCHEMBL5545370 0.77 ALDH1A1 (0.53) ALDH1A1CASP1MEN1CASP7KMT2A
SCHEMBL3344562 0.77 CASP6 (0.62) ALDH1A1CASP1MEN1CASP7KMT2A
SCHEMBL10368122 0.77 CASP6 (0.62) ALDH1A1CASP1MEN1CASP7KMT2A

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 28 patents — showing the first 20. 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
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
EP-2084162-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-08-05 EP disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1688549-A Compound having TGF-beta inhibitory activity and medicinal composition containing the same KIRIN BREWERY (JP) 2005-10-26 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP disclosed
EP-0758650-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-19 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 (3 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 ALDH1A1 1257/4885CASP1 520/4885MEN1 1660/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885CASP1 2151/4885MEN1 3295/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 ALDH1A1 252/4885CASP1 2177/4885MEN1 3691/4885

“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.