SCHEMBL6435677

SCHEMBL6435677

O=C(Nc1cccc(Br)c1)Nc1cccc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
MAPT P10636 5/20 0.58
HTT P42858 4/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TRPV1 Q8NER1 1/20 0.56
GRIK1 P39086 3/20 0.53
GRIK2 Q13002 2/20 0.53
STING1 Q86WV6 1/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL30104934 0.83 MEN1 (0.53) MEN1KMT2AMAPTHTTLMNA
SCHEMBL23831754 0.83 MEN1 (0.53) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6436290 0.82 KMT2A (0.68) MEN1KMT2AMAPTHTTLMNA
SCHEMBL19707566 0.82 GAA (0.65) MEN1KMT2AMAPTHTTLMNA
SCHEMBL11846997 0.80 RAB9A (0.73) MEN1KMT2AHTTLMNANPC1
SCHEMBL6434716 0.80 KDR (0.67) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL6431252 0.79 RAB9A (0.66) MEN1KMT2AMAPTHTTNPC1
SCHEMBL30995905 0.78 CA12 (0.60) MEN1KMT2AMAPTHTTLMNA
SCHEMBL12218028 0.78 CA12 (0.60) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6433829 0.78 MEN1 (0.71) MEN1KMT2AMAPTHTTLMNA

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-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 US claimed
EP-1514867-A2 Substituted phenyl derivatives, their preparation and use NeuroSearch A/S (DK) 2005-03-16 EP claimed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US claimed
US-20020032210-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-14 US claimed
EP-1514867-A2 Substituted phenyl derivatives, their preparation and use NeuroSearch A/S (DK) 2005-03-16 EP disclosed
US-6706749-B2 CHLORIDE CHANNEL BLOCKERS; USEFUL IN THE TREATMENT OF SICKLE CELL ANAEMIA, BRAIN EDEMA FOLLOWING ISCAEMIA OR TUMORS, DIARRHEA, HYPERTENSION, BONE METABOLIC DISORDERS, OSTEOCLAST ASSOCIATED DISODERS; SUBSTITUTED BIPHENYL CONTAINING NITROGEN NEUROSEARCH A/S (DK) 2004-03-16 US disclosed
US-6696475-B2 N-PHENYL-N'-(2-CARBOXYPHENYL) UREA, FOR EXAMPLE; CHLORIDE CHANNEL BLOCKERS; SUCH AS FOR TREATING BONE METABOLIC DISORDERS NEUROSEARCH A/S (DK) 2004-02-24 US disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-20020032210-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-14 US disclosed
EP-1123274-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2001-08-16 EP disclosed
WO-2000024707-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-05-04 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 (3 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-20020032210-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNB2, KCNH2 MEN1 2987/4885KMT2A 2188/4885MAPT 3324/4885
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 MEN1 2384/4885KMT2A 2286/4885MAPT 3787/4885
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity CPA3, HNMT, CMA1 MEN1 903/4885KMT2A 1345/4885MAPT 1603/4885

“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.