SCHEMBL207535

SCHEMBL207535

Brc1ccc2[c]c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.42
CYP2A6 P11509 2/20 0.38
NR4A2 P43354 1/20 0.38
METAP2 P50579 3/20 0.35
NOS1 P29475 2/20 0.35
DYRK1A Q13627 2/20 0.35
JAK2 O60674 3/20 0.34
PDPK1 O15530 2/20 0.34
GPR84 Q9NQS5 1/20 0.33
IMPDH2 P12268 1/20 0.33
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL207738 0.83 AHR (0.42) AHRCYP2A6NR4A2METAP2NOS1
SCHEMBL2955170 0.74 TYR (0.42) PDPK1ALDH1A1HTR2A
SCHEMBL4851597 0.73
SCHEMBL17423817 0.69
SCHEMBL6357105 0.69 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9739148 0.69 NPC1 (0.43) DYRK1AJAK2IMPDH2CHEK1FGFR1
SCHEMBL649172 0.67 CYP3A4 (0.49) NOS1ALDH1A1
SCHEMBL1538 0.67
SCHEMBL152187 0.67 CSNK2A1 (0.44) AHRCSNK2A1
SCHEMBL6345184 0.66 HPGD (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111533767-A Tetradentate phosphine ligand and preparation method thereof, hydroformylation catalyst and reaction method, and preparation method of 1, 3-propylene glycol 卢海元 2020-08-14 CN claimed
CN-111170954-A Phenalenone compounds and application thereof 大连理工大学 2020-05-19 CN claimed
US-7323488-B2 Chromogenic enzyme substrates BURTON MICHAEL 2008-01-29 US claimed
EP-1436411-B1 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2005-12-14 EP claimed
EP-1334205-B1 METHOD FOR IDENTIFYING LISTERIA MONOCYTOGENES AND CULTURE MEDIUM BIOMERIEUX SA (FR) 2005-10-26 EP claimed
US-20050124556-A1 Chromogenic enzyme substrates BURTON MICHAEL (GB) 2005-06-09 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
EP-1436411-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY Burton, Michael (GB) 2004-07-14 EP claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
WO-2003035896-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2003-05-01 WO claimed
US-6333339-B1 CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) 2001-12-25 US claimed
CN-111170954-B Phenalenone compounds and application thereof 大连理工大学 2023-03-28 CN disclosed
CN-111533767-A Tetradentate phosphine ligand and preparation method thereof, hydroformylation catalyst and reaction method, and preparation method of 1, 3-propylene glycol 卢海元 2020-08-14 CN disclosed
CN-111170954-A Phenalenone compounds and application thereof 大连理工大学 2020-05-19 CN disclosed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
WO-2000037456-A1 AMIDE AND UREA DERIVATIVES AS 5-HT REUPTAKE INHIBITORS AND AS 5-HT1B/1D LIGANDS MERCK PATENT GMBH (DE) 2000-06-29 WO disclosed
EP-0998474-A1 PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-05-10 EP disclosed
EP-0993458-A1 3-BENZYLPIPERIDINE MERCK PATENT GmbH (DE) 2000-04-19 EP disclosed
WO-1999003855-A1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-01-28 WO disclosed
WO-1998057953-A1 3-BENZYLPIPERIDINE MERCK PATENT GMBH (DE) 1998-12-23 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-20050124556-A1 Chromogenic enzyme substrates DCXR, MGAM, IDE AHR 1326/4885CYP2A6 611/4885NR4A2 1474/4885

“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.