SCHEMBL13721196

SCHEMBL13721196

O=C(Cc1cc(F)cc(F)c1)Nn1nc(Cc2ccc(Cl)nc2)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ CHRM1 P11229 4/20 0.37
▸ TSHR P16473 2/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL13720451 0.88 KDM4E (0.45) MAPTAKR1B1
SCHEMBL30795437 0.88 ADRA1A (0.45) MAPTSMN1; SMN2USP2LMNATSHR
SCHEMBL1789505 0.88 ADRA1A (0.45) MAPTSMN1; SMN2USP2LMNATSHR
SCHEMBL30796305 0.86 TSHR (0.50) MAPTSMN1; SMN2USP2LMNAPOLB
SCHEMBL1791416 0.86 TSHR (0.50) MAPTSMN1; SMN2USP2LMNAPOLB
SCHEMBL30796852 0.81 TRPV1 (0.41) MAPTSMN1; SMN2USP2LMNAPOLB
SCHEMBL1789011 0.81 TRPV1 (0.41) MAPTSMN1; SMN2USP2LMNAPOLB
SCHEMBL1790428 0.78 ADRA1A (0.51) AKR1B1CHRM1TSHR
SCHEMBL30795062 0.78 ADRA1A (0.51) AKR1B1CHRM1TSHR
SCHEMBL1788819 0.77 TSHR (0.51) AKR1B1TSHR

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 MAPT 3246/4885SMN1; SMN2 1602/4885USP2 4427/4885

“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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