SCHEMBL13721024

SCHEMBL13721024

O=C(Cc1cc(F)cc(F)c1)Nn1nc(Sc2ccccc2)c2ccccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PSEN1 P49768 3/20 0.35
▸ PSEN2 P49810 3/20 0.35
▸ APH1B Q8WW43 3/20 0.35
▸ NCSTN Q92542 3/20 0.35
▸ APH1A Q96BI3 3/20 0.35
▸ PSENEN Q9NZ42 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ EIF4H Q15056 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 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
SCHEMBL13721463 0.92 AKR1B1 (0.41) AKR1B1SIGMAR1SMN1; SMN2LMNAUSP2
SCHEMBL13720356 0.86 NPSR1 (0.40) AKR1B1SIGMAR1SMN1; SMN2LMNAUSP2
SCHEMBL13721165 0.84 KMT2A (0.48) AKR1B1MAPK1LMNANPSR1KMT2A
SCHEMBL30796507 0.81 TRPV1 (0.42) AKR1B1SIGMAR1SMN1; SMN2LMNAUSP2
SCHEMBL1787537 0.81 MAPT (0.50) AKR1B1SMN1; SMN2LMNAUSP2NPSR1
SCHEMBL1790031 0.81 TRPV1 (0.42) AKR1B1SIGMAR1SMN1; SMN2LMNAUSP2
SCHEMBL30796353 0.81 MAPT (0.50) AKR1B1SMN1; SMN2LMNAUSP2NPSR1
SCHEMBL13720425 0.81 MAPK8 (0.41) LMNANPSR1KMT2AMEN1HTT
SCHEMBL1789011 0.81 TRPV1 (0.41) AKR1B1SIGMAR1SMN1; SMN2LMNAUSP2
SCHEMBL30796852 0.81 TRPV1 (0.41) AKR1B1SIGMAR1SMN1; SMN2LMNAUSP2

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 AKR1B1 236/4885SIGMAR1 978/4885MAPK1 799/4885

“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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