SCHEMBL13852930

SCHEMBL13852930

NC(=O)c1cccc(NC(=O)c2ccccc2Oc2ccc(Br)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.53
▸ PARP2 Q9UGN5 1/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KCNK3 O14649 3/20 0.50
▸ KCNK9 Q9NPC2 3/20 0.50
▸ TP53 P04637 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ SCN8A Q9UQD0 1/20 0.49
▸ SCN10A Q9Y5Y9 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PNLIP P16233 2/20 0.47
▸ MET P08581 1/20 0.46

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
SCHEMBL13894164 0.90 RXFP1 (0.58) PARP1MEN1KMT2AKCNK3KCNK9
SCHEMBL3661640 0.89 SCN8A (0.61) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL13852931 0.85 RXFP1 (0.62) RXFP1SCN8ASCN10AMAPT
SCHEMBL28197272 0.80 NR1H4 (0.69) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL13852922 0.79 KMT2A (0.62) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL20644107 0.79 SCN8A (0.62) SCN8ASCN10APNLIP
SCHEMBL3663484 0.79 KMT2A (0.61) PARP1MEN1KMT2ARXFP1LMNA
SCHEMBL16266125 0.77 MEN1 (0.69) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL7762884 0.77 LMNA (0.57) MEN1KMT2ATP53LMNAMAPT
SCHEMBL29062038 0.76 KMT2A (0.53) MEN1KMT2AKCNK3KCNK9SCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779197-B2 Aryl amides useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 — — US disclosed
US-8779197-B2 Aryl amides useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 — — US disclosed
US-20090118338-A1 ARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-07 — — US disclosed
US-20090118338-A1 ARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-07 — — 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-20090118338-A1 ARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS KCNH2, KCNH3, SCN5A PARP1 4019/4885PARP2 3941/4885MEN1 3792/4885

“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.

Send feedback