SCHEMBL13720752

SCHEMBL13720752

CC(C)(C)N(Cc1nn(NC(=O)CC2CCC(F)(F)CC2)c(=O)c2ccccc12)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.37
▸ CCR5 P51681 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ANO1 Q5XXA6 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ GLP1R P43220 2/20 0.34
▸ POLB P06746 3/20 0.33
▸ AKR1B1 P15121 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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 0.89 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL13858509 0.81 CHRNA7 (0.42) CHRNA7CCR5ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13721204 0.80 OGFRL1 (0.39) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL13721202 0.80 OGFRL1 (0.39) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL13720349 0.80 HPGD (0.37) ALDH1A1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL13721432 0.78 LMNA (0.50) KMT2ASMN1; SMN2LMNACNR2POLB
SCHEMBL13720957 0.78 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL13721811 0.76 KDM4E (0.46) ALDH1A1KMT2ALMNAHTTL3MBTL1
SCHEMBL13721614 0.73 ALOX15 (0.42) ALDH1A1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL1791098 0.69 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2LMNATSHR

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
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — US claimed
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 CHRNA7 169/4885CCR5 4194/4885ALDH1A1 743/4885

“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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