SCHEMBL13606342

SCHEMBL13606342

N#Cc1cc(F)cc(-c2cc(F)cc(Oc3cccnc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.57
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR4 Q5NUL3 3/20 0.48
GRM5 P41594 6/20 0.42
HTT P42858 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL13606234 0.91 CYP19A1 (0.53) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL13606341 0.91 CYP19A1 (0.63) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL4465817 0.87 CYP19A1 (0.57) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL4454767 0.83 CYP19A1 (0.63) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL13606235 0.82 FFAR4 (0.56) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL13606213 0.81 FFAR4 (0.54) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL4462299 0.81 HAO1 (0.55) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL13606339 0.78 FFAR4 (0.53) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL4458510 0.78 FFAR4 (0.52) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL13989138 0.78 GRM5 (0.53) CYP19A1LMNATDP1ALDH1A1FFAR4

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-20090306115-A1 Phenyl ethyne compounds MERCK SHARP & DOHME CORP. 2009-12-10 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-20090306115-A1 Phenyl ethyne compounds DDT, CHRM3, CBR3 CYP19A1 583/4885LMNA 4450/4885TDP1 3721/4885

“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.