SCHEMBL730792

SCHEMBL730792

O=C(O)c1c[c]ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.41
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 1/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
KEAP1 Q14145 2/20 0.35
NAPRT Q6XQN6 2/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ASPH Q12797 2/20 0.34
KDM8 Q8N371 2/20 0.34
NFE2L2 Q16236 1/20 0.34
CYP3A4 P08684 1/20 0.33
ACMSD Q8TDX5 2/20 0.33
PTPN1 P18031 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL232644 0.83 ALB (0.41) ALBALDH1A1ALOX15CYP1A2CES2
SCHEMBL1476008 0.81 DGAT1 (0.41) ALDH1A1ALOX15CES2CES1KDM4E
SCHEMBL7246452 0.81 SMN1; SMN2 (0.36) ALDH1A1ALOX15CES2CES1CYP3A4
SCHEMBL490677 0.79 ALDH1A1 (0.48) ALDH1A1ALOX15CYP1A2NAPRTKDM4E
SCHEMBL1196449 0.78 KDM4E (0.47) ALDH1A1ALOX15CYP1A2KEAP1NAPRT
SCHEMBL1477248 0.76 AR (0.38) ALDH1A1ALOX15CES2CES1KEAP1
SCHEMBL1476023 0.76 GAA (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL1476818 0.76 KMT2A (0.41) ALDH1A1CYP1A2KDM4ECA1CA2
SCHEMBL3181993 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15CYP1A2NAPRTKDM4E
SCHEMBL2553639 0.76 ALDH1A1 (0.42) ALDH1A1ALOX15CYP1A2KDM4ECYP3A4

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US claimed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO claimed
CN-110143945-A A kind of simple and convenient process for preparing of 4- substituent group methyl-1-(2H) phthalazone 新发药业有限公司 2019-08-20 CN claimed
US-9682940-B2 Indazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US claimed
WO-2017034872-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO claimed
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US claimed
US-7659281-B2 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US claimed
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
EP-1732552-A4 2,6-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2007-12-19 EP claimed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
EP-1732552-A2 2,6-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2006-12-20 EP claimed
CN-1860114-A Benzoxazinone-derived sulfonamide compounds, process for their preparation and their use as pharmaceuticals ESTEVE LABOR DR (ES) 2006-11-08 CN claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
WO-2005070133-A2 2,6-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2005-08-04 WO claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
EP-1487455-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 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 (4 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-20070249583-A1 HMG-CoA reductase inhibitors HMGCR, LDLR, PCSK9 ALB 410/4885ALDH1A1 1255/4885ALOX15 850/4885
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 ALB 4818/4885ALDH1A1 1904/4885ALOX15 3451/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 ALB 3781/4885ALDH1A1 1597/4885ALOX15 283/4885
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 ALB 4269/4885ALDH1A1 689/4885ALOX15 1393/4885

“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.