SCHEMBL13721463

SCHEMBL13721463

O=C(Cc1cc(F)cc(F)c1)Nn1nc(Sc2ccc(Br)cc2)c2ccccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 3/20 0.41
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ FPR1 P21462 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ POLB P06746 1/20 0.33

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 0.92 AKR1B1 (0.39) AKR1B1L3MBTL1NPSR1MEN1KMT2A
SCHEMBL13721379 0.85 MEN1 (0.46) CYP1A2CYP2C9L3MBTL1CYP3A4CYP2D6
SCHEMBL13720356 0.81 NPSR1 (0.40) AKR1B1CYP1A2CYP2C9L3MBTL1CYP3A4
SCHEMBL13720548 0.80 AKR1B1 (0.41) AKR1B1CYP1A2CYP2C9MEN1KMT2A
SCHEMBL30796852 0.78 TRPV1 (0.41) AKR1B1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL1786512 0.78 KMT2A (0.48) AKR1B1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL30795566 0.78 KMT2A (0.48) AKR1B1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL1789011 0.78 TRPV1 (0.41) AKR1B1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL13721165 0.76 KMT2A (0.48) AKR1B1CYP1A2CYP2C9L3MBTL1CYP3A4
SCHEMBL30796353 0.76 MAPT (0.50) AKR1B1NPSR1MEN1KMT2ASMN1; SMN2

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 236/4885CYP1A2 890/4885CYP2C9 1775/4885

“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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