SCHEMBL1788702

SCHEMBL1788702

Nn1nc(C(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ELANE P08246 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ BCAT1 P54687 1/20 0.35

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
SCHEMBL1787410 0.74 NPSR1 (0.62) ALDH1A1NPSR1LMNAPOLBKDM4E
SCHEMBL1788116 0.73 ALDH1A1 (0.57) ALDH1A1NPSR1LMNAPOLBKDM4E
SCHEMBL1786624 0.72 NPSR1 (0.56) ALDH1A1NPSR1LMNAKDM4EKMT2A
SCHEMBL1787409 0.72 SMN1; SMN2 (0.47) ALDH1A1NPSR1LMNAKDM4EKMT2A
SCHEMBL13721019 0.70 NPSR1 (0.44) ALDH1A1NPSR1LMNAKDM4EMAPK1
SCHEMBL13721812 0.69 LMNA (0.40) ALDH1A1NPSR1LMNAKDM4EMAPK1
SCHEMBL1787363 0.69 TSHR (0.61) ALDH1A1LMNAKDM4EKMT2AL3MBTL1
SCHEMBL1786845 0.68 NPSR1 (0.56) ALDH1A1NPSR1POLBKDM4EKMT2A
SCHEMBL13720590 0.68 TP53 (0.41) ALDH1A1KDM4EKMT2APTGS2MEN1
SCHEMBL1788291 0.68 BCAT1 (0.42) ALDH1A1KDM4EMAPK1KMT2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP 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 ALDH1A1 1644/4885NPSR1 505/4885LMNA 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.

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