SCHEMBL7672909

SCHEMBL7672909

Cn1cncc1C(C)(O)c1ccc(C#N)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.48
CYP3A4 P08684 1/20 0.48
FNTA P49354 17/20 0.47
FNTB P49356 17/20 0.47
PGGT1B P53609 17/20 0.47
RORC P51449 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL7222091 0.85 FNTA (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7220637 0.84 FNTA (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7673750 0.83 FNTA (0.44) CYP17A1CYP3A4FNTAFNTBPGGT1B
SCHEMBL7710770 0.81 AR (0.39) CYP17A1CYP3A4FNTAFNTBPGGT1B
SCHEMBL7704750 0.78 S1PR3 (0.39) CYP17A1CYP3A4FNTAFNTBPGGT1B
SCHEMBL7566587 0.78 FNTB (0.42) FNTAFNTBPGGT1BRORCCYP11B1
SCHEMBL7736904 0.78 S1PR3 (0.42) CYP17A1CYP3A4FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7220321 0.76 FNTA (0.41) CYP17A1CYP3A4FNTAFNTBPGGT1B
SCHEMBL7589567 0.75 FNTB (0.39) FNTAFNTBPGGT1BRORC
SCHEMBL7701717 0.75 FNTB (0.39) FNTAFNTBPGGT1BRORC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease MERCK & CO., INC. 2002-03-28 US disclosed
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed
US-6284755-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-09-04 US disclosed
WO-2000034437-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-06-15 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-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease FNTA, PKD1, FNTB CYP17A1 1346/4885CYP3A4 1528/4885FNTA 1/4885

“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.