SCHEMBL3609752

SCHEMBL3609752

O=C(Cc1csc(N(Cc2ccc(Br)s2)C(=O)O)n1)NO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.43
KDM4E B2RXH2 2/20 0.43
PDE1A P54750 7/20 0.41
PDE1B Q01064 7/20 0.41
PDE1C Q14123 7/20 0.41
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3602128 0.84 PDE5A (0.43) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL3608154 0.84 MEN1 (0.37) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL3611539 0.82 HDAC1 (0.50) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL3604375 0.78 PDE5A (0.44) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL3600139 0.76 GSTO1 (0.52) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL3603075 0.76 PDE5A (0.45) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL3615409 0.74 PDE5A (0.42) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL3600706 0.72 PDE5A (0.43) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL13316881 0.70 PDE5A (0.52) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL3602419 0.70 PDE5A (0.46) PDE5APDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 PDE5A 258/4885KDM4E 3755/4885PDE1A 3451/4885

“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.