SCHEMBL13720768

SCHEMBL13720768

O=C(CC1CC2CCC1C2)Nn1nc(C(=O)O)c2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ESR2 Q92731 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
SCHEMBL13720758 0.91 ALDH1A1 (0.41) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL13720760 0.91 ALDH1A1 (0.41) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL13721374 0.88 ALDH1A1 (0.40) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL13721375 0.88 ALDH1A1 (0.40) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL13721377 0.88 ALDH1A1 (0.40) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL13720980 0.88 HPGD (0.40) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL13720799 0.86 ALDH1A1 (0.50) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL1791096 0.85 HPGD (0.41) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL1791097 0.85 HPGD (0.41) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL13720461 0.85 LMNA (0.40) MEN1KMT2AHPGDALDH1A1RAB9A

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 5 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
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 POLB 4320/4885MEN1 1274/4885KMT2A 574/4885

“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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