SCHEMBL4783909

SCHEMBL4783909

O=[N+]([O-])c1ccc2[nH]nc(-c3ncco3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
HPGD P15428 1/20 0.61
CNR2 P34972 3/20 0.44
CNR1 P21554 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
LRRK2 Q5S007 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA2 P47869 1/20 0.42
CDK2 P24941 1/20 0.41
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
NOS1 P29475 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5379795 0.77 MAPT (0.67) MAPTHPGDCA12CA9LRRK2
SCHEMBL16025479 0.77 MAPT (0.67) MAPTHPGDCNR2CNR1CA12
SCHEMBL4784703 0.76 AXL (0.48) LRRK2CDK2
SCHEMBL4007995 0.76 MAPT (1.00) MAPTHPGDCNR2CNR1LRRK2
SCHEMBL4783607 0.76 MAPT (0.48) MAPTHPGDCNR2CNR1CA12
SCHEMBL5378145 0.75 MAPT (0.81) MAPTHPGDCNR2CNR1CA12
SCHEMBL4783616 0.75 CDK2 (0.48) MAPTHPGDCNR2CNR1CA12
SCHEMBL4452729 0.74 LRRK2 (0.54) HPGDLRRK2ALDH1A1NPC1RAB9A
SCHEMBL2568062 0.74 MAPT (0.74) MAPTHPGDCNR2CNR1CA12
SCHEMBL5377226 0.74 MAPT (0.94) MAPTHPGDCNR2CNR1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 WO disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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 (2 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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R MAPT 1651/4885HPGD 730/4885CNR2 266/4885
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 MAPT 9/4885HPGD 3604/4885CNR2 1967/4885

“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.