SCHEMBL13720957

SCHEMBL13720957

CC(C)(C)N(Cc1nn(NC(=O)Cc2ccc(F)cc2)c(=O)c2ccccc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13721432 0.91 LMNA (0.50) SMN1; SMN2LMNAUSP2POLBKMT2A
SCHEMBL13721811 0.90 KDM4E (0.46) LMNAALDH1A1KMT2AHTTEGFR
SCHEMBL13721293 0.82 KDM4E (0.46) LMNAALDH1A1KMT2AHTTEGFR
SCHEMBL13858643 0.80 LMNA (0.54) SMN1; SMN2LMNAUSP2ALDH1A1RAB9A
SCHEMBL13720913 0.79 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1RAB9ACYP3A4
SCHEMBL13720752 0.78 CHRNA7 (0.37) SMN1; SMN2LMNAALDH1A1POLBKMT2A
SCHEMBL13720840 0.77 KDM4E (0.46) LMNAALDH1A1KMT2AHTTEGFR
SCHEMBL30794643 0.76 MAPT (0.56) SMN1; SMN2LMNAUSP2ALDH1A1RAB9A
SCHEMBL1790108 0.76 MAPT (0.56) SMN1; SMN2LMNAUSP2ALDH1A1RAB9A
SCHEMBL13721045 0.76 KDM4E (0.48) LMNAALDH1A1POLBKMT2AHTT

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 SMN1; SMN2 1602/4885LMNA 1022/4885USP2 4427/4885

“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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