SCHEMBL7167697

SCHEMBL7167697

N=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.52
RXFP1 Q9HBX9 2/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
OPRK1 P41145 1/20 0.47
KDR P35968 1/20 0.47
IDO1 P14902 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6728898 0.92 GRIK1 (0.58) GRIK1RXFP1MAPTALDH1A1GAA
SCHEMBL6719306 0.86 RXFP1 (0.46) GRIK1RXFP1MAPTALDH1A1GAA
SCHEMBL6719194 0.86 THRB (0.47) GRIK1RXFP1MAPTALDH1A1GAA
SCHEMBL6727476 0.86 PTGER3 (0.48) GRIK1RXFP1MAPTALDH1A1GAA
SCHEMBL6720730 0.86 ALDH1A1 (0.47) GRIK1RXFP1MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL7204817 0.85 SIGMAR1 (0.48) GRIK1RXFP1MAPTALDH1A1GAA
SCHEMBL2288364 0.85 MAPT (0.64) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL6724643 0.84 LMNA (0.42) GRIK1RXFP1MAPTALDH1A1GAA
SCHEMBL6716936 0.81 TAS2R14 (0.48) RXFP1MAPTGAANPSR1MEN1
Hydrochloric Acid SCHEMBL7203936 0.80 TAS2R14 (0.47) RXFP1MAPTGAANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US claimed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US claimed
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP claimed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 WO claimed
US-6569880-B2 Guanidine derivatives NEUROSEARCH A/S (DK) 2003-05-27 US disclosed
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US disclosed
US-6380180-B1 BENZIMIDAZOLE COMPOUNDS FOR TREATMENT OF ASTHMA, VASOSPASM, MEMORY LOSS, MIGRAINE AND OTHERS DISEASES ASSOCIATED WITH POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2002-04-30 US disclosed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US disclosed
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP disclosed
US-6194447-B1 ASTHMA, ANTICONVULSANTS, COGNITION ACTIVATORS, BRAIN DISORDERS, PSYCHOLOGICAL DISORDERS, CARDIOVASCULAR DISORDERS,GASTROINTESTINAL DISORDERS NEUROSEARCH A/S (DK) 2001-02-27 US disclosed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 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 (2 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-20020137784-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 GRIK1 112/4885RXFP1 591/4885MAPT 918/4885
US-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 GRIK1 112/4885RXFP1 591/4885MAPT 918/4885

“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.