SCHEMBL3755792

SCHEMBL3755792

Cc1cc2c(=O)n(NC(=O)CC34CC5CC(CC(C5)C3)C4)c(C)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ P2RX7 Q99572 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 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
SCHEMBL3761389 0.83 GLA (0.44) KMT2AGLAALDH1A1HTTCYP2C19
SCHEMBL3757535 0.80 ALDH1A1 (0.44) KMT2AGLAALDH1A1CYP2C19GAA
SCHEMBL3761284 0.79 HTT (0.58) KMT2AALDH1A1HTTCYP2C19CYP2C9
SCHEMBL3754201 0.78 P2RX7 (0.46) KMT2AGLAALDH1A1HTTCYP2C19
SCHEMBL3754218 0.76 ALDH1A1 (0.66) KMT2AALDH1A1HTTCYP2C19CYP2C9
SCHEMBL3755185 0.76 ALDH1A1 (0.68) KMT2AALDH1A1HTTGAAMEN1
SCHEMBL3749463 0.76 TGM2 (0.47) KMT2AGLAALDH1A1CYP2C19CYP2C9
SCHEMBL3757356 0.75 ALDH1A1 (0.67) KMT2AALDH1A1HTTGAAMEN1
SCHEMBL3791796 0.74 HTT (0.53) KMT2AALDH1A1HTTCYP2C19CYP2C9
SCHEMBL3755149 0.72 GLA (0.54) KMT2AGLAALDH1A1HTTCYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 — — WO claimed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 — — US claimed
US-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 — — US disclosed
WO-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 — — WO disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 — — 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 KMT2A 642/4885GLA 3444/4885ALDH1A1 1031/4885

“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.

Send feedback