SCHEMBL2890241

SCHEMBL2890241

C#Cc1ccc(C)c(NC)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.34
HDAC8 Q9BY41 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
IDH1 O75874 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL27794425 0.83 ESR1 (0.37) CRHR1HDAC8CYP2C9RAPGEF4
SCHEMBL12722730 0.79 ALDH1A1 (0.43) ALDH1A1MAPT
SCHEMBL13773385 0.79 CYP3A4 (0.55) CRHR1HDAC8ALDH1A1MAPT
SCHEMBL5718769 0.75 ALDH1A1 (0.40) HDAC8CYP2C9ALDH1A1
SCHEMBL483771 0.73 MAP2K1 (0.44) HDAC8
SCHEMBL11663960 0.71 HDAC8 (0.34) HDAC8CYP2C9IDH1
SCHEMBL3539902 0.71 PDK1 (0.40) CRHR1HDAC8CYP2C9ALDH1A1IDH1
SCHEMBL12190700 0.71 MAPT (0.50) CYP2C9ALDH1A1MAPT
SCHEMBL34463395 0.71 FFAR1 (0.39) HDAC8
SCHEMBL2092832 0.70 RAPGEF4 (0.56) HDAC8ALDH1A1RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 CRHR1 760/4885HDAC8 94/4885CYP2C9 3857/4885

“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.