SCHEMBL2796536

SCHEMBL2796536

O=Cc1ccc(OC(F)F)c(Oc2cc[n+]([O-])cc2Br)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.36
PDE4A P27815 10/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
PDE4D Q08499 1/20 0.32
HTT P42858 2/20 0.32
PDE4B Q07343 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 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
SCHEMBL2559258 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHTTGAASMN1; SMN2
SCHEMBL2791777 0.81 POLB (0.39) PDE4AALDH1A1TSHRPDE4DPDE4B
SCHEMBL1302147 0.76 TTR (0.49) DRD1ALDH1A1HTTGAASMN1; SMN2
SCHEMBL140841 0.74 DRD1 (0.53) DRD1PDE4AALDH1A1TSHRPDE4D
SCHEMBL29440132 0.74 DRD1 (0.53) DRD1PDE4AALDH1A1TSHRPDE4D
SCHEMBL26699637 0.73 DRD1 (0.49) DRD1ALDH1A1TSHRHTTPDE4B
SCHEMBL3466337 0.73 DRD1 (0.49) DRD1ALDH1A1TSHRHTTPDE4B
SCHEMBL29654951 0.73 DRD1 (0.49) DRD1ALDH1A1TSHRHTTPDE4B
SCHEMBL4135186 0.70 TTR (0.61) DRD1PDE4AALDH1A1TSHRPDE4D
SCHEMBL140472 0.69 ALDH1A1 (0.70) DRD1ALDH1A1TSHRHTTPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524905-B2 Processes for preparing 6-(difluoromethoxy)[1]benzofuro[3,2-c]pyridine-9-carbaldehyde, a novel intermediate for the synthesis of PDE IV inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2013-09-03 US disclosed
US-20100168151-A1 NOVEL PROCESSES FOR PREPARING 6-(DIFLUOROMETHOXY)[1]BENZOFURO[3,2-C]PYRIDINE-9-CARBALDEHYDE, A NOVEL INTERMEDIATE FOR THE SYNTHESIS OF PDE IV INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-07-01 US disclosed
WO-2008142542-A2 PROCESSES FOR PREPARING BENZOFURO [3, 2-C] PYRIDINE- 9-CARBALDEHYDE DERIVATIVES AS NOVEL INTERMEDIATES FOR THE SYNTHESIS OF PDE IV INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2008-11-27 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-20100168151-A1 NOVEL PROCESSES FOR PREPARING 6-(DIFLUOROMETHOXY)[1]BENZOFURO[3,2-C]PYRIDINE-9-CARBALDEHYDE, A NOVEL INTERMEDIATE FOR THE SYNTHESIS OF PDE IV INHIBITORS PDE4B, PDE4A, PDE4C DRD1 1984/4885PDE4A 2/4885ALDH1A1 341/4885

“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.