SCHEMBL9430893

SCHEMBL9430893

CC(C)(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.63
CYP2C19 P33261 1/20 0.60

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
SCHEMBL30173705 0.90 AR (0.61) ARCYP2C19
SCHEMBL2222574 0.90 AR (0.65) ARCYP2C19
SCHEMBL15362806 0.90 AR (0.61) ARCYP2C19
SCHEMBL31026332 0.89 AR (0.64) ARCYP2C19
SCHEMBL16845620 0.89 AR (0.64) ARCYP2C19
SCHEMBL2980069 0.88 AR (0.59) ARCYP2C19
SCHEMBL7518469 0.88 ABCC9 (0.64) ARCYP2C19
SCHEMBL6242747 0.88 AR (0.62) ARCYP2C19
SCHEMBL18814836 0.87 AR (0.61) ARCYP2C19
SCHEMBL31531532 0.87 AR (0.61) ARCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969677-B2 Histone acetyltransferase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-15 US disclosed
US-9969677-B2 Histone acetyltransferase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-15 US disclosed
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-04 US disclosed
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-04 US disclosed
US-5280044-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0381330-B1 Fungicides ZENECA LTD (GB) 1993-12-29 EP disclosed
US-4999381-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
EP-0381330-A1 Fungicides ZENECA LIMITED (GB) 1990-08-08 EP 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-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, KAT2A, HTT AR 892/4885CYP2C19 4851/4885

“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.