SCHEMBL16854873

SCHEMBL16854873

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCC)CCNC)ccc3OCC)nc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.80
PDE5A O76074 17/20 0.78
KDM4E B2RXH2 1/20 0.73
KMT2A Q03164 1/20 0.70
PDE2A O00408 2/20 0.65
PDE9A O76083 2/20 0.65
PDE4A P27815 2/20 0.65
PDE6C P51160 2/20 0.65
PDE1A P54750 2/20 0.65
PDE11A Q9HCR9 2/20 0.65
PDE10A Q9Y233 2/20 0.65
ABCC4 O15439 1/20 0.65
ABCC5 O15440 1/20 0.65
PDE6D O43924 1/20 0.65
PDE8A O60658 1/20 0.65
ABCB11 O95342 1/20 0.65
CYP3A4 P08684 1/20 0.65
HTR1A P08908 1/20 0.65
PDE6A P16499 1/20 0.65
PDE6G P18545 1/20 0.65

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
SCHEMBL22273422 0.95 POLB (0.78) POLBPDE5AKDM4EKMT2APDE2A
SCHEMBL8090115 0.94 POLB (0.89) POLBPDE5AKDM4EKMT2APDE2A
SCHEMBL7913058 0.89 POLB (1.00) POLBPDE5AKDM4EKMT2APDE2A
SCHEMBL13990518 0.88 POLB (0.92) POLBPDE5AKDM4EKMT2APDE2A
SCHEMBL7909595 0.87 POLB (0.81) POLBPDE5AKDM4EKMT2APDE2A
SCHEMBL28415555 0.86 PDE5A (0.84) PDE5AKDM4EKMT2APDE2APDE9A
SCHEMBL13990475 0.86 POLB (0.82) POLBPDE5AKDM4EKMT2APDE2A
SCHEMBL13065357 0.86 POLB (0.93) POLBPDE5AKDM4EKMT2APDE2A
SCHEMBL8503688 0.85 POLB (0.78) POLBPDE5AKDM4EKMT2APDE2A
SCHEMBL13990482 0.85 POLB (0.91) POLBPDE5AKDM4EKMT2APDE2A

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-20150174157-A1 INHALED NO DONOR PIPERAZINYL DERIVATIVE PREVENTING ALLERGIC PULMONARY VASCULAR AND BRONCHIAL INFLAMMATION BY REDUCING VEGF AND RESTORING eNOS IN HYPOXIC PULMONARY ARTERY KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-06-25 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-20150174157-A1 INHALED NO DONOR PIPERAZINYL DERIVATIVE PREVENTING ALLERGIC PULMONARY VASCULAR AND BRONCHIAL INFLAMMATION BY REDUCING VEGF AND RESTORING eNOS IN HYPOXIC PULMONARY ARTERY NOS2, NOS3, NOS1 POLB 238/4885PDE5A 27/4885KDM4E 3648/4885

“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.