SCHEMBL1998435

SCHEMBL1998435

N#Cc1cccc(Nc2nc3ccccc3[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.60
CSNK1A1 P48729 6/20 0.59
CSNK1D P48730 6/20 0.59
GSK3B P49841 5/20 0.59
CSNK1G2 P78368 5/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 1/20 0.54
ABCG2 Q9UNQ0 4/20 0.51
DDX3X O00571 1/20 0.51
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL29986068 0.81 CSNK1D (0.85) AKR1C3CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL30020996 0.80 MEN1 (0.75) AKR1C3MEN1KMT2ANPC1RAB9A
SCHEMBL239690 0.80 MEN1 (0.75) AKR1C3MEN1KMT2ANPC1RAB9A
SCHEMBL18236256 0.79 AKR1C3 (0.63) AKR1C3MEN1KMT2ANPC1RAB9A
SCHEMBL1999901 0.79 AKR1C3 (0.63) AKR1C3MEN1KMT2ANPC1RAB9A
SCHEMBL18415225 0.76 AKR1C3 (0.59) AKR1C3CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL1998475 0.76 AKR1C3 (0.59) AKR1C3MEN1KMT2AABCG2DDX3X
SCHEMBL28050241 0.76 RAB9A (0.68) AKR1C3MEN1KMT2ANPC1RAB9A
SCHEMBL3766427 0.75 AKR1C3 (1.00) AKR1C3MEN1KMT2ANPC1RAB9A
SCHEMBL13500676 0.75 ALDH1A1 (0.69) IRAK4NPC1RAB9AALDH1A1NPSR1

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-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
EP-1896427-A2 NOVEL 2-(PHENYLAMINO)BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NeuroSearch A/S (DK) 2008-03-12 EP disclosed
WO-2006136580-A2 2-(PHENYLAMINO)BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2006-12-28 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-20090076106-A1 2-(Phenylamino) Benzimidazole Derivatives and Their Use as Modulators of Small- Conductance Calcuim-Activated Potassium Channels KCNN2, KCNN1, KCNN3 AKR1C3 3134/4885IRAK4 2074/4885CSNK1A1 765/4885

“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.