SCHEMBL3663484

SCHEMBL3663484

NC(=O)c1cccc(NC(=O)c2ccccc2Br)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
F2R P25116 13/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
RXFP1 Q9HBX9 1/20 0.54
PARP1 P09874 1/20 0.53
PARP15 Q460N3 1/20 0.53
PARP10 Q53GL7 1/20 0.53

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
SCHEMBL16270629 0.89 KMT2A (0.58) KMT2AMEN1F2RNPC1RAB9A
SCHEMBL23070709 0.87 KMT2A (0.68) KMT2AMEN1F2RNPC1RAB9A
SCHEMBL10069451 0.85 KMT2A (0.79) KMT2AMEN1F2RNPC1RAB9A
SCHEMBL5668584 0.84 FADS1 (0.62) KMT2AMEN1ALDH1A1PARP1PARP15
SCHEMBL18132551 0.84 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1PARP1PARP15
SCHEMBL2683831 0.82 MEN1 (0.64) KMT2AMEN1ALDH1A1RXFP1PARP1
SCHEMBL27654215 0.82 MEN1 (0.74) KMT2AMEN1F2RNPC1RAB9A
SCHEMBL13894163 0.82 TDP1 (0.58) KMT2AMEN1ALDH1A1PARP1PARP15
SCHEMBL14818771 0.82 KCNK3 (0.74) KMT2AMEN1F2RRAB9AALDH1A1
SCHEMBL810165 0.82 ALDH1A1 (0.68) KMT2AF2RNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212290-B1 ARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMA (US) 2014-12-03 EP disclosed
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-8779197-B2 Aryl amides useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
EP-2212290-A1 ARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2010-08-04 EP 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
US-20090118338-A1 ARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-07 US disclosed
WO-2009049183-A1 ARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-16 WO disclosed
WO-2009049183-A1 ARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-16 WO 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 KMT2A 1218/4885MEN1 3792/4885F2R 4024/4885

“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.