SCHEMBL3328612

SCHEMBL3328612

Cc1c(C(=O)Cl)nnn1Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
GRM2 Q14416 1/20 0.43
MAPT P10636 1/20 0.43
TDO2 P48775 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.41
PFKFB3 Q16875 1/20 0.41
KLKB1 P03952 1/20 0.40

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
SCHEMBL2367880 0.88 CYP19A1 (0.53) CYP19A1L3MBTL1MEN1KMT2AHTT
SCHEMBL17351850 0.88 POLB (0.49) CYP19A1MAPTTDO2HPGDKLKB1
SCHEMBL18321102 0.87 CYP19A1 (0.49) CYP19A1L3MBTL1MEN1KMT2AHTT
SCHEMBL18321160 0.85 CYP1A2 (0.55) CYP19A1L3MBTL1MEN1KMT2AHTT
SCHEMBL2367846 0.76 HPGD (0.54) CYP19A1HTTMAPTTDO2HPGD
SCHEMBL18321067 0.75 JAK2 (0.51) CYP19A1MEN1KMT2AHTTJAK2
SCHEMBL3829134 0.75 NAMPT (0.56) CYP19A1L3MBTL1MAPTTDO2NPC1
SCHEMBL10671004 0.74 GAA (0.53) MEN1KMT2AHPGD
SCHEMBL12057089 0.74 POLB (0.51) L3MBTL1MEN1KMT2AHTTMAPT
SCHEMBL795210 0.74 HPGD (0.68) CYP19A1MEN1KMT2AHTTMAPT

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-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
EP-2148868-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-03 EP disclosed
WO-2008138917-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-20 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-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNH1, KCNJ2, KCNN2 CYP19A1 1603/4885L3MBTL1 4019/4885MEN1 2906/4885

“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.