SCHEMBL1787773

SCHEMBL1787773

O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RXFP1 Q9HBX9 2/20 0.43
TP53 P04637 5/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1787776 1.00 MAPT (0.46) MAPTNPC1LMNAMEN1KMT2A
SCHEMBL1786886 0.90 ALDH1A1 (0.43) MAPTNPC1LMNAMEN1KMT2A
SCHEMBL1786888 0.90 ALDH1A1 (0.43) MAPTNPC1LMNAMEN1KMT2A
SCHEMBL1786942 0.90 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL30794868 0.90 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL1791226 0.90 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL1791227 0.90 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL1786940 0.90 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL13721686 0.90 P2RX7 (0.42) MAPTNPC1LMNAMEN1KMT2A
SCHEMBL1788841 0.90 MCHR1 (0.42) MAPTNPC1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US claimed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 US claimed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 MAPT 3480/4885NPC1 326/4885LMNA 1106/4885

“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.