SCHEMBL13720327

SCHEMBL13720327

O=c1[nH]nc(N2CCSCC2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.55
▸ ATM Q13315 2/20 0.47
▸ GAA P10253 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PARP1 P09874 4/20 0.40
▸ AR P10275 1/20 0.40
▸ PRKDC P78527 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 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
SCHEMBL831675 0.83 ENPP1 (0.53) ENPP1ATMNPSR1LMNATSHR
SCHEMBL29688141 0.83 ENPP1 (0.53) ENPP1ATMNPSR1LMNATSHR
SCHEMBL30417899 0.81 TSHR (0.63) ENPP1ATMNPSR1LMNATSHR
SCHEMBL19951504 0.81 TSHR (0.63) ENPP1ATMNPSR1LMNATSHR
SCHEMBL13720770 0.81 HTR3A (0.53) ENPP1ATMLMNATSHRHPGD
SCHEMBL13721430 0.81 PARP1 (0.53) ENPP1ATMLMNATSHRHPGD
SCHEMBL8274438 0.79 ENPP1 (0.62) ENPP1ATMNPSR1LMNATSHR
SCHEMBL10149826 0.79 ROCK2 (0.62) ATMGAANPSR1LMNATSHR
SCHEMBL19951493 0.77 LMNA (0.51) ENPP1GAALMNATSHRHPGD
SCHEMBL30418223 0.77 LMNA (0.51) ENPP1GAALMNATSHRHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ENPP1 2609/4885ATM 3336/4885GAA 3184/4885

“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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