SCHEMBL7235359

SCHEMBL7235359

c1ccc(-c2nc3ccccc3nc2N2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.71
CASP1 P29466 2/20 0.71
HRH4 Q9H3N8 1/20 0.71
KDM4E B2RXH2 7/20 0.67
ALDH1A1 P00352 4/20 0.67
MAPK1 P28482 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
MAPT P10636 2/20 0.67
TSHR P16473 2/20 0.67
CASP7 P55210 1/20 0.67
GFER P55789 1/20 0.67
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 7/20 0.58
ATM Q13315 2/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
ACP1 P24666 2/20 0.58
HPGD P15428 2/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL1459871 0.82 HRH4 (0.55) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL1457962 0.82 HPGD (0.66) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL1458615 0.82 HPGD (0.66) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL1458918 0.82 HPGD (0.66) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL1458839 0.82 HPGD (0.66) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL15940580 0.81 CASP1 (0.64) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL1458040 0.78 HPGD (0.58) HRH4KDM4EALDH1A1MAPTHPGD
SCHEMBL1459027 0.78 HPGD (0.58) HRH4KDM4EALDH1A1MAPTHPGD
SCHEMBL1458680 0.78 HPGD (0.58) HRH4KDM4EALDH1A1MAPTHPGD
SCHEMBL6235741 0.76 ALDH1A1 (0.57) HSD17B10CASP1HRH4KDM4EALDH1A1

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
WO-1999042463-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INTERLEUKIN-8 RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-08-26 WO claimed
WO-1999042461-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INTERLEUKIN-8 RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-08-26 WO claimed
EP-4082547-B1 SYSTEMS, METHODS, AND COMPOSITIONS FOR CROSS-LINKING TREATMENTS OF AN EYE AVEDRO INC (US) 2026-02-04 EP disclosed
EP-4082547-A1 SYSTEMS, METHODS, AND COMPOSITIONS FOR CROSS-LINKING TREATMENTS OF AN EYE Avedro, INC. (US) 2022-11-02 EP disclosed
EP-3226871-B1 SYSTEMS, METHODS, AND COMPOSITIONS FOR CROSS-LINKING TREATMENTS OF AN EYE AVEDRO INC (US) 2022-07-13 EP disclosed
CN-107206003-B Systems, methods, and compositions for cross-linking treatment of the eye 艾维德洛公司 2021-10-26 CN disclosed
EP-3858356-A2 SYSTEMS, METHODS, AND COMPOSITIONS FOR CROSS-LINKING Avedro, Inc. (US) 2021-08-04 EP disclosed
EP-2999471-B1 SYSTEMS, METHODS, AND COMPOSITIONS FOR CROSS-LINKING AVEDRO INC (US) 2020-12-16 EP disclosed
US-20200046835-A1 Systems, Methods, and Compositions For Cross-Linking Treatments of an Eye AVEDRO, INC. 2020-02-13 US disclosed
EP-3226871-A1 SYSTEMS, METHODS, AND COMPOSITIONS FOR CROSS-LINKING TREATMENTS OF AN EYE Avedro, INC. (US) 2017-10-11 EP disclosed
CN-107206003-A Systems, methods, and compositions for cross-linking treatment of the eye 艾维德洛公司 2017-09-26 CN disclosed
US-20160175442-A1 Systems, Methods, and Compositions For Cross-Linking Treatments of an Eye AVEDRO, INC. 2016-06-23 US disclosed
WO-2016090016-A1 SYSTEMS, METHODS, AND COMPOSITIONS FOR CROSS-LINKING TREATMENTS OF AN EYE AVEDRO, INC. (US) 2016-06-09 WO disclosed
EP-2999471-A1 SYSTEMS, METHODS, AND COMPOSITIONS FOR CROSS-LINKING Avedro, INC. (US) 2016-03-30 EP disclosed
US-20140343480-A1 SYSTEMS, METHODS, AND COMPOSITIONS FOR CROSS-LINKING AVEDRO, INC. (US) 2014-11-20 US disclosed
US-6548499-B1 N-(1-Azabicyclo(2.2.2)octanyl-3-pyridinyl)-3-(2-pyridinyl)-2 -quinoxalinamine, for example; treating various chemokine mediated diseases MILLENNIUM PHARMACEUTICALS, INC. 2003-04-15 US disclosed
WO-1999042463-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INTERLEUKIN-8 RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-08-26 WO disclosed
WO-1999042461-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INTERLEUKIN-8 RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-08-26 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-20200046835-A1 Systems, Methods, and Compositions For Cross-Linking Treatments of an Eye CS, FECH, PNPO HSD17B10 1468/4885CASP1 4098/4885HRH4 966/4885

“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.