SCHEMBL3749463

SCHEMBL3749463

Cc1sc2nc(C)n(NC(=O)CC34CC5CC(CC(C5)C3)C4)c(=O)c2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 2/20 0.47
▸ P2RX7 Q99572 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CNR1 P21554 1/20 0.39

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
SCHEMBL3757535 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL3761284 0.78 HTT (0.58) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3754218 0.77 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL3755185 0.77 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL3757356 0.76 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL3755792 0.76 KMT2A (0.44) P2RX7ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL3761389 0.76 GLA (0.44) P2RX7ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL3791796 0.73 HTT (0.53) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL3760532 0.73 ALDH1A1 (0.57) P2RX7ALDH1A1LMNAKMT2AMEN1
SCHEMBL3755149 0.69 GLA (0.54) P2RX7ALDH1A1KDM4ESMN1; SMN2LMNA

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 TGM2 3857/4885P2RX7 172/4885ALDH1A1 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