SCHEMBL3205366

SCHEMBL3205366

BrCc1cccc(-c2cnco2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
MAP4K4 O95819 1/20 0.58
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
GAA P10253 1/20 0.47
PTK2 Q05397 1/20 0.46
NOTUM Q6P988 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
HDAC4 P56524 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KEAP1 Q14145 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PTGDR Q13258 1/20 0.38
PDK2 Q15119 1/20 0.38
IL2 P60568 1/20 0.38

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
SCHEMBL12298706 0.83 MEN1 (0.58) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL29468019 0.83 MAP4K4 (0.63) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL3207637 0.83 MEN1 (0.58) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL2158739 0.82 KMT2A (0.75) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL5567984 0.79 GAA (0.63) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL4033591 0.78 CYP4F2 (0.58) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL4755701 0.77 MEN1 (1.00) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL29808221 0.75 KMT2A (0.66) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL10445828 0.75 KMT2A (0.49) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL9454720 0.74 KMT2A (0.48) MEN1KMT2AMAP4K4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671080-B2 1-benzylindole-2-carboxamide derivatives N.V. ORGANON (NL) 2010-03-02 US disclosed
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives N.V. ORGANON (NL) 2008-11-13 US disclosed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 EP disclosed
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 WO disclosed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 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-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives CNR2, CNR1, HTR2C MEN1 2868/4885KMT2A 414/4885MAP4K4 2842/4885

“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.