SCHEMBL3368189

SCHEMBL3368189

O=[N+]([O-])c1cc(Br)cnc1NCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 20/20 0.49
DCLK1 O15075 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
PIM1 P11309 1/20 0.45
CYP2C9 P11712 1/20 0.45
PRKACA P17612 1/20 0.45
CDK2 P24941 1/20 0.45
MATK P42679 1/20 0.45
FRK P42685 1/20 0.45
CSNK1D P48730 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
IRAK1 P51617 1/20 0.45
RPS6KA3 P51812 1/20 0.45
CDK5 Q00535 1/20 0.45
PRKCD Q05655 1/20 0.45

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
SCHEMBL3997225 0.92 PRKCQ (0.44) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL5881555 0.84 PRKCQ (0.49) PRKCQ
SCHEMBL26913614 0.84 KMT2A (0.42) PRKCQ
SCHEMBL26913618 0.84 KMT2A (0.42) PRKCQ
SCHEMBL5881801 0.80 PRKCQ (0.47) PRKCQ
SCHEMBL18172300 0.80 MAPT (0.36) PRKCQCYP3A4CYP2D6CYP2C9
SCHEMBL18988769 0.80 PGK1 (0.48)
SCHEMBL422751 0.77 MAPT (0.43) CYP3A4CYP2D6CDK5
SCHEMBL5881958 0.77 MAPK1 (0.56) PRKCQ
SCHEMBL16913971 0.76 TDO2 (0.45) PRKCQPIM1

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
EP-1994011-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC (JP) 2010-10-13 EP disclosed
US-7700618-B2 Sulfonyl benzimidazole derivatives PFIZER INC (US) 2010-04-20 US disclosed
US-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC. (JP) 2009-05-28 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-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES TRPV1, CNR2, CNR1 PRKCQ 1487/4885DCLK1 3271/4885MAP4K4 2594/4885

“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.