SCHEMBL4458510

SCHEMBL4458510

C#Cc1cc(F)cc(Oc2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.52
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP19A1 P11511 3/20 0.48
GRM5 P41594 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL4458288 0.83 FFAR4 (0.53) FFAR4LMNATDP1CYP19A1GRM5
SCHEMBL9046506 0.81 LMNA (0.68) FFAR4LMNATDP1CYP19A1GRM5
SCHEMBL13989096 0.81 FFAR4 (0.48) FFAR4LMNATDP1CYP19A1GRM5
SCHEMBL4465817 0.81 CYP19A1 (0.57) FFAR4LMNATDP1CYP19A1GRM5
SCHEMBL4454767 0.80 CYP19A1 (0.63) FFAR4LMNATDP1CYP19A1GRM5
Hydrochloric Acid SCHEMBL4861873 0.80 FFAR4 (0.47) FFAR4LMNATDP1CYP19A1GRM5
SCHEMBL4466659 0.80 FFAR4 (0.50) FFAR4LMNATDP1CYP19A1GRM5
SCHEMBL13606342 0.78 CYP19A1 (0.57) FFAR4LMNATDP1CYP19A1GRM5
SCHEMBL427753 0.78 CYP19A1 (0.70) FFAR4LMNATDP1CYP19A1GRM5
SCHEMBL4465810 0.78 CYP19A1 (0.47) FFAR4LMNATDP1CYP19A1GRM5

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 6 patents. 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
US-20090306115-A1 Phenyl ethyne compounds MERCK SHARP & DOHME CORP. 2009-12-10 US disclosed
US-20090306115-A1 Phenyl ethyne compounds MERCK SHARP & DOHME CORP. 2009-12-10 US disclosed
CN-101163667-A Phenylacetylene compounds MERCK & CO INC (US) 2008-04-16 CN disclosed
EP-1874724-A2 PHENYL ETHYNE COMPOUNDS Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2006115895-A2 PHENYL ETHYNE COMPOUNDS MERCK & CO., INC. (US) 2006-11-02 WO 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 FFAR4 814/4885LMNA 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.