SCHEMBL13720356

SCHEMBL13720356

O=C(Cc1cc(F)cc(F)c1)Nn1nc(SCc2ccccc2)c2ccccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ AKR1B1 P15121 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PDE7A Q13946 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 2/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL13721024 0.86 AKR1B1 (0.39) NPSR1SIGMAR1AKR1B1RAB9ALMNA
SCHEMBL13721378 0.84 HPGD (0.47) NPSR1AKR1B1ALDH1A1L3MBTL1HPGD
SCHEMBL30796305 0.82 TSHR (0.50) NPSR1SIGMAR1AKR1B1LMNAL3MBTL1
SCHEMBL1791416 0.82 TSHR (0.50) NPSR1SIGMAR1AKR1B1LMNAL3MBTL1
SCHEMBL13721463 0.81 AKR1B1 (0.41) NPSR1SIGMAR1AKR1B1LMNAL3MBTL1
SCHEMBL30796507 0.81 TRPV1 (0.42) SIGMAR1AKR1B1LMNAMEN1KMT2A
SCHEMBL30796353 0.81 MAPT (0.50) NPSR1AKR1B1RAB9ALMNAALDH1A1
SCHEMBL1787537 0.81 MAPT (0.50) NPSR1AKR1B1RAB9ALMNAALDH1A1
SCHEMBL1790031 0.81 TRPV1 (0.42) SIGMAR1AKR1B1LMNAMEN1KMT2A
SCHEMBL1786512 0.80 KMT2A (0.48) NPSR1AKR1B1RAB9ALMNAALDH1A1

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-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO claimed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — US claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — 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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 NPSR1 650/4885SIGMAR1 978/4885AKR1B1 236/4885

“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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