SCHEMBL13720866

SCHEMBL13720866

O=C(CC1CC2CCC1C2)Nn1nc(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.46
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ECE1 P42892 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39

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
SCHEMBL1787776 0.84 MAPT (0.46) LMNAALDH1A1MAPTTDP1MEN1
SCHEMBL1787773 0.84 MAPT (0.46) LMNAALDH1A1MAPTTDP1MEN1
SCHEMBL13720768 0.84 POLB (0.45) LMNAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL13720799 0.83 ALDH1A1 (0.50) LMNAALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL1785305 0.82 ADRA1A (0.46) ABCB1LMNASMN1; SMN2
SCHEMBL1785306 0.82 ADRA1A (0.46) ABCB1LMNASMN1; SMN2
SCHEMBL13720758 0.81 ALDH1A1 (0.41) LMNAALDH1A1MAPTSMN1; SMN2ECE1
SCHEMBL13720760 0.81 ALDH1A1 (0.41) LMNAALDH1A1MAPTSMN1; SMN2ECE1
SCHEMBL13720980 0.81 HPGD (0.40) LMNAALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL13721113 0.80 PARP1 (0.40) LMNAALDH1A1MAPTSMN1; SMN2TDP1

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 ABCB1 293/4885LMNA 1022/4885ALDH1A1 743/4885

“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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