SCHEMBL1787044

SCHEMBL1787044

Cc1ccc(-c2nn(NC(=O)C[C@@H]3CC[C@H]4C[C@H]3C4(C)C)c(=O)c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ ATM Q13315 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL1787041 1.00 RAB9A (0.45) RAB9AALDH1A1CNR2ATMKMT2A
SCHEMBL30796416 1.00 RAB9A (0.45) RAB9AALDH1A1CNR2ATMKMT2A
SCHEMBL1788438 0.92 MEN1 (0.44) ALDH1A1KMT2AMEN1TP53NPSR1
SCHEMBL30796361 0.92 MEN1 (0.44) ALDH1A1KMT2AMEN1TP53NPSR1
SCHEMBL1788439 0.92 MEN1 (0.44) ALDH1A1KMT2AMEN1TP53NPSR1
SCHEMBL16156007 0.81 OGFRL1 (0.42) ALDH1A1CNR2CNR1SMN1; SMN2
SCHEMBL16156008 0.81 OGFRL1 (0.42) ALDH1A1CNR2CNR1SMN1; SMN2
SCHEMBL1791109 0.81 ADORA3 (0.41) ALDH1A1CNR2KMT2AMEN1CNR1
SCHEMBL1791112 0.81 ADORA3 (0.41) ALDH1A1CNR2KMT2AMEN1CNR1
SCHEMBL1788965 0.77 RAB9A (0.48) RAB9AALDH1A1ATMKMT2AMEN1

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-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US claimed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — US claimed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 RAB9A 1521/4885ALDH1A1 1644/4885CNR2 426/4885

“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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