SCHEMBL13720988

SCHEMBL13720988

O=C(Cc1ccc(Cl)cc1)Nn1nc(CN(Cc2ccccc2)C(=O)O)c2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CACNA1G O43497 1/20 0.44
▸ CACNA1H O95180 1/20 0.44
▸ CACNA1I Q9P0X4 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ CNR2 P34972 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ AVPR1A P37288 1/20 0.38

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
SCHEMBL13721045 0.92 KDM4E (0.48) ABCB1KDM4EHPGDCACNA1GCACNA1H
SCHEMBL13720684 0.89 KDM4E (0.46) ABCB1KDM4EHPGDCACNA1GCACNA1H
SCHEMBL13720840 0.89 KDM4E (0.46) ABCB1KDM4EHPGDCACNA1GCACNA1H
SCHEMBL13720849 0.89 KDM4E (0.44) ABCB1KDM4EHPGDCACNA1GCACNA1H
SCHEMBL30796387 0.86 TSHR (0.51) ABCB1KDM4EHPGDCACNA1GCACNA1H
SCHEMBL1788819 0.86 TSHR (0.51) ABCB1KDM4EHPGDCACNA1GCACNA1H
SCHEMBL13721811 0.85 KDM4E (0.46) ABCB1KDM4EHPGDCACNA1GCACNA1H
SCHEMBL13721152 0.85 AKR1B1 (0.58) KDM4EHPGDCACNA1GCACNA1HCACNA1I
SCHEMBL13720169 0.84 ALDH1A1 (0.48) KDM4EHPGDCACNA1GCACNA1HCACNA1I
SCHEMBL1790428 0.84 ADRA1A (0.51) ABCB1KDM4EHPGDMEN1KMT2A

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-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
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 293/4885KDM4E 751/4885HPGD 1562/4885

“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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