SCHEMBL5579693

SCHEMBL5579693

O=C1c2ccccc2C(=O)N1c1ccc(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.57
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
ALDH1A1 P00352 2/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
TOP1 P11387 1/20 0.45
PTGES O14684 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL28855427 0.79 GRM5 (0.49) GRM5CTSVCTSLALDH1A1RAB9A
SCHEMBL29901110 0.79 GRM5 (0.49) GRM5CTSVCTSLALDH1A1RAB9A
SCHEMBL1663438 0.79 MEN1 (0.57) CTSVCTSLRAB9AMEN1NPC1
SCHEMBL30832846 0.79 MEN1 (0.57) CTSVCTSLRAB9AMEN1NPC1
Potassium Ion SCHEMBL10618645 0.78 MEN1 (0.53) CTSVCTSLRAB9AMEN1NPC1
SCHEMBL15819302 0.76 HTR1A (0.53) CTSVCTSLALDH1A1RAB9AMEN1
SCHEMBL29502844 0.76 POLB (0.58) CTSVCTSLPOLBRAB9AMEN1
SCHEMBL5579665 0.76 ESR1 (0.83) ESR1ESR2ALDH1A1POLBMEN1
SCHEMBL5421861 0.76 POLB (0.58) CTSVCTSLPOLBRAB9AMEN1
SCHEMBL1163442 0.75 MAOB (0.54) CTSVCTSLRAB9AMEN1NPC1

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
US-20070004713-A1 Therapeutic benimidazole compounds ASTRAZENECA AB (SE) 2007-01-04 US disclosed
EP-1341768-A1 THERAPEUTIC BENZIMIDAZOLE COMPOUNDS AstraZeneca AB (SE) 2003-09-10 EP disclosed
WO-2002046168-A1 THERAPEUTIC BENZIMIDAZOLE COMPOUNDS ASTRAZENECA AB (SE) 2002-06-13 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-20070004713-A1 Therapeutic benimidazole compounds ESR2, ESRRA, ESRRB GRM5 366/4885ESR1 6/4885ESR2 1/4885

“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.