SCHEMBL1635558

SCHEMBL1635558

CCCC(O)(c1ccccc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AR P10275 6/20 0.41
TRPA1 O75762 2/20 0.40
CTSK P43235 2/20 0.40
PARP1 P09874 1/20 0.37
CTSS P25774 1/20 0.36
MCHR1 Q99705 1/20 0.35
PTGES O14684 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL1636643 0.72 AR (0.56) ARTRPA1
SCHEMBL2148589 0.68 AR (0.48) AR
SCHEMBL20096687 0.65 CACNA1H (0.41) ARTRPA1
SCHEMBL20096569 0.65 CACNA1H (0.41) ARTRPA1
SCHEMBL1636551 0.65 AR (0.44) AR
SCHEMBL31679092 0.63 NPC1 (0.63) HDAC3HDAC7HDAC10HDAC6PARP1
SCHEMBL4117692 0.63 NPC1 (0.63) HDAC3HDAC7HDAC10HDAC6PARP1
SCHEMBL1260022 0.63 CACNA1H (0.37) ARTRPA1
SCHEMBL1635569 0.63 AR (0.40) ARTRPA1MCHR1
SCHEMBL24049714 0.62 HDAC3 (0.61) HDAC3HDAC7HDAC10HDAC6PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932399-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2011-04-26 US disclosed
US-20070208014-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-06 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-20070208014-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 HDAC3 124/4885HDAC7 187/4885HDAC10 135/4885

“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.