SCHEMBL31044896

SCHEMBL31044896

Cc1cc2c(NCCCc3ccccc3)nc(C3CCCCC3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.48
ALDH1A1 P00352 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CHRM3 P20309 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
OGG1 O15527 1/20 0.36
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
GBA1 P04062 1/20 0.36
EPHX1 P07099 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL31045005 0.99 PDE5A (0.47) PDE5AALDH1A1PDE10ACHRM3PDE4A
SCHEMBL31045121 0.97 PDE5A (0.44) PDE5AALDH1A1PDE10ACHRM3PDE4A
Bicarbonate SCHEMBL7018200 0.90 PDE5A (0.47) PDE5AALDH1A1APPBCHEACHE
SCHEMBL31044926 0.86 ALDH1A1 (0.35) PDE5AALDH1A1PDE10ACHRM3PDE4A
Bicarbonate SCHEMBL7011719 0.84 PDE5A (0.59) PDE5APDE10ACHRM3PDE4APDE4B
SCHEMBL20667984 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2D6CYP2C19GBA1
SCHEMBL8179115 0.81 ALDH1A1 (0.42) ALDH1A1PDE10ACHRM3PDE4APDE4B
SCHEMBL31045033 0.80 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL31045039 0.79 APP (0.51) PDE5ACYP1A2CYP2D6CYP2C19APP
SCHEMBL31044874 0.79

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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS FIMBRION THERAPEUTICS, INC. (US) 2024-08-22 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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS G6PD, SDHA, NQO1 PDE5A 1459/4885ALDH1A1 774/4885PDE10A 1726/4885

“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.