SCHEMBL2004629

SCHEMBL2004629

Fc1cc(Nc2nc3ccccc3[nH]2)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MTOR P42345 2/20 0.51
GRM4 Q14833 1/20 0.49
CETP P11597 1/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
AKR1C3 P42330 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
DDX3X O00571 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PIK3CG P48736 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1163657 0.92 MEN1 (0.56) MEN1KMT2AMTORGRM4NPC1
SCHEMBL1996492 0.87 MEN1 (0.60) MEN1KMT2AMTORNPC1RAB9A
SCHEMBL1998475 0.84 AKR1C3 (0.59) MEN1KMT2AMTORDYRK1ADYRK1B
SCHEMBL2001169 0.83 RAB9A (0.53) MEN1KMT2AMTORNPC1RAB9A
SCHEMBL1998129 0.82 MTOR (0.67) MEN1KMT2AMTORNPC1RAB9A
SCHEMBL30822901 0.78 DYRK1A (0.67) DYRK1ADYRK1B
SCHEMBL1996591 0.77 MEN1 (0.71) MEN1KMT2AMTORNPC1RAB9A
SCHEMBL30449437 0.76 MTOR (0.60) MEN1KMT2AMTORNPC1RAB9A
SCHEMBL1996070 0.76 MEN1 (0.55) MEN1KMT2AMTORGRM4NPC1
SCHEMBL30822913 0.75 HDAC11 (0.49) GRM4DYRK1ADYRK1BALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960561-B2 2-(phenylamino) benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2011-06-14 US claimed
US-20090076106-A1 2-(Phenylamino) Benzimidazole Derivatives and Their Use as Modulators of Small- Conductance Calcuim-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-03-19 US claimed
US-7960561-B2 2-(phenylamino) benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2011-06-14 US disclosed
US-20090076106-A1 2-(Phenylamino) Benzimidazole Derivatives and Their Use as Modulators of Small- Conductance Calcuim-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-03-19 US 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-20090076106-A1 2-(Phenylamino) Benzimidazole Derivatives and Their Use as Modulators of Small- Conductance Calcuim-Activated Potassium Channels KCNN2, KCNN1, KCNN3 MEN1 2186/4885KMT2A 1406/4885MTOR 1082/4885

“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.