SCHEMBL13721614

SCHEMBL13721614

CC(C)(C)N(Cc1nn(N)c(=O)c2ccccc12)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ RECQL P46063 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL13720913 0.73 ALDH1A1 (0.46) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL13720957 0.73 SMN1; SMN2 (0.47) POLBKMT2AMEN1RAB9ALMNA
SCHEMBL13721811 0.73 KDM4E (0.46) KMT2AMEN1LMNAL3MBTL1HTT
SCHEMBL13720752 0.73 CHRNA7 (0.37) POLBKMT2AMEN1LMNATSHR
SCHEMBL13721432 0.72 LMNA (0.50) POLBKMT2ALMNASMN1; SMN2
SCHEMBL13858652 0.71 TSHR (0.44) ALOX15MAPTPOLBKMT2AMEN1
SCHEMBL1787363 0.70 TSHR (0.61) MAPTKMT2AMEN1LMNATSHR
SCHEMBL13720349 0.70 HPGD (0.37) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8773482 0.69 MEN1 (0.69) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL13720543 0.68 SMN1; SMN2 (0.74) MAPTPOLBLMNAL3MBTL1SMN1; SMN2

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-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — 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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 ALOX15 3374/4885MAPT 3246/4885POLB 4320/4885

“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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