SCHEMBL3757535

SCHEMBL3757535

Cc1sc2nc(C)n(NC(=O)CC34CC5CC(CC(C5)C3)C4)c(=O)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3749463 0.85 TGM2 (0.47) ALDH1A1POLBGLAKMT2ALMNA
SCHEMBL3754218 0.83 ALDH1A1 (0.66) ALDH1A1POLBMAPK1KMT2AGAA
SCHEMBL3755185 0.83 ALDH1A1 (0.68) ALDH1A1POLBKMT2AGAALMNA
SCHEMBL3757356 0.82 ALDH1A1 (0.67) ALDH1A1POLBKMT2AGAALMNA
SCHEMBL3755792 0.80 KMT2A (0.44) ALDH1A1POLBGLAKMT2AUSP2
SCHEMBL3761389 0.78 GLA (0.44) ALDH1A1GLAKMT2AGAALMNA
SCHEMBL3761284 0.73 HTT (0.58) ALDH1A1MAPK1KMT2AUSP2GAA
SCHEMBL3754201 0.70 P2RX7 (0.46) ALDH1A1MAPK1GLAKMT2AUSP2
SCHEMBL3791796 0.69 HTT (0.53) ALDH1A1MAPK1KMT2AUSP2GAA
SCHEMBL3759815 0.66 LMNA (0.46) ALDH1A1POLBGLAKMT2AGAA

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 ALDH1A1 1031/4885POLB 4177/4885MAPK1 938/4885

“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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