SCHEMBL6514538

SCHEMBL6514538

Cc1cc(C#N)ccc1-c1ccc(C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
EGLN2 Q96KS0 5/20 0.39
CYP11B2 P19099 4/20 0.38
CYP11B1 P15538 3/20 0.38
CYP2A6 P11509 1/20 0.38
NSD2 O96028 2/20 0.38
S1PR1 P21453 1/20 0.38
STS P08842 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
EIF4E P06730 1/20 0.36

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
SCHEMBL14531566 0.90 ALDH1A1 (0.41) HRH2HRH1CYP11B2CYP2A6NSD2
SCHEMBL7634772 0.84 ALDH1A1 (0.48) HRH2HRH1PDE3BPDE3AEGLN2
SCHEMBL6062294 0.83 EGLN2 (0.41) EGLN2CYP11B2CYP11B1
SCHEMBL27806613 0.83 KIF11 (0.47) HRH2HRH1PDE3BPDE3AEGLN2
SCHEMBL23625527 0.81 ALDH1A1 (0.56) HRH2HRH1PDE3BPDE3AEGLN2
SCHEMBL2786090 0.78 MMP3 (0.57) HRH2HRH1EGLN2CYP11B2CYP11B1
SCHEMBL12496569 0.78 PTGS1 (0.49) HRH2HRH1PDE3BPDE3AEGLN2
SCHEMBL17629909 0.78 MAOA (0.43) HRH2HRH1PDE3BPDE3AEGLN2
SCHEMBL14525302 0.78 HRH2 (0.41) HRH2HRH1PDE3BPDE3AEGLN2
SCHEMBL2572264 0.78 ESR2 (0.53) EGLN2CYP11B2CYP11B1

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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 HRH2 815/4885HRH1 838/4885PDE3B 2296/4885

“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.