SCHEMBL2653441

SCHEMBL2653441

O=[N+]([O-])c1cccc(-c2ccon2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
MAPT P10636 7/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
MAPK1 P28482 2/20 0.49
GRM5 P41594 1/20 0.48
PLK1 P53350 1/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CYP1A2 P05177 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
SCHEMBL5139807 0.80 MAPT (0.46) MAPTNPC1RAB9ALMNATDP1
SCHEMBL6738366 0.76 TSHR (0.76) IDO1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9272513 0.76 MAPT (0.54) IDO1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30461136 0.76 RAB9A (0.69) IDO1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30461135 0.76 RAB9A (0.69) IDO1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20501822 0.75 RAB9A (0.56) IDO1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22348262 0.75 NPC1 (0.56) IDO1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27544629 0.75 NPC1 (0.56) IDO1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11392466 0.74 TSHR (0.73) IDO1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11392461 0.74 TSHR (0.73) IDO1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP disclosed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP disclosed
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex ANIONA APS (DK) 2006-07-06 US disclosed
US-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex NEUROSEARCH A/S (DK) 2006-03-30 US disclosed
EP-1613618-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA- sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
EP-1613312-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 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 (2 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-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex GABRB2, GABRB1, GABRB3 IDO1 1002/4885MAPT 1060/4885NPC1 1700/4885
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB2, GABRB1, GABRB3 IDO1 1376/4885MAPT 1462/4885NPC1 1201/4885

“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.