SCHEMBL3759804

SCHEMBL3759804

CC(C)c1nc2ccccc2c(=O)n1NC(=O)CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.48
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 4/20 0.42
▸ P2RX7 Q99572 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL3765565 0.91 P2RX7 (0.48) HDAC6POLBSMN1; SMN2HTTALDH1A1
SCHEMBL3785819 0.85 P2RX7 (0.44) HDAC6POLBSMN1; SMN2HTTALDH1A1
SCHEMBL3755932 0.84 ALDH1A1 (0.56) HDAC6HTTALDH1A1LMNAGAA
SCHEMBL3755499 0.83 P2RX7 (0.41) HDAC6POLBSMN1; SMN2HTTALDH1A1
SCHEMBL3759996 0.81 HTT (0.44) SMN1; SMN2HTTALDH1A1LMNAGAA
SCHEMBL3752434 0.80 HTT (0.43) SMN1; SMN2HTTALDH1A1LMNAGAA
SCHEMBL3759965 0.79 P2RX7 (0.45) SMN1; SMN2ALDH1A1LMNAGAAP2RX7
SCHEMBL3703520 0.79 HTT (0.44) SMN1; SMN2HTTALDH1A1LMNAGAA
SCHEMBL6369417 0.79 HTT (0.52) SMN1; SMN2HTTALDH1A1LMNAGAA
SCHEMBL3759959 0.79 P2RX7 (0.41) SMN1; SMN2LMNAP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 — — US claimed
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 HDAC6 1249/4885POLB 4177/4885SMN1; SMN2 1516/4885

“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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