SCHEMBL9099364

SCHEMBL9099364

Cc1ccc(C(=O)N(C)C(CN2CCC(F)(F)C2)C(C)C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL9099355 1.00 HDAC4 (0.37) HDAC4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9106912 0.94 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9106904 0.94 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9288110 0.85 MAOA (0.36) HDAC4
SCHEMBL9288106 0.85 MAOA (0.36) HDAC4
SCHEMBL9281842 0.84 HDAC4 (0.38) HDAC4ALDH1A1CYP1A2CYP3A4
SCHEMBL9281845 0.84 HDAC4 (0.38) HDAC4ALDH1A1CYP1A2CYP3A4
SCHEMBL9099255 0.83 CYP3A4 (0.38) CYP1A2CYP3A4
SCHEMBL9099249 0.83 CYP3A4 (0.38) CYP1A2CYP3A4
SCHEMBL9275813 0.81 ALDH1A1 (0.37) HDAC4ALDH1A1CYP1A2CYP3A4CYP2C9

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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — 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 (2 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HDAC4 3670/4885ALDH1A1 2203/4885CYP1A2 631/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HDAC4 3670/4885ALDH1A1 2203/4885CYP1A2 631/4885

“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.

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