SCHEMBL5901201

SCHEMBL5901201

O=[N+]([O-])c1cc(Br)cc2[nH]c(CCl)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
AKR1B1 P15121 1/20 0.35
RHEB Q15382 1/20 0.34
MMP13 P45452 2/20 0.34
ERN1 O75460 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
FBP1 P09467 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNJ1 P48048 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GRIK1 P39086 1/20 0.33

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
SCHEMBL18152663 0.81 GAA (0.43) GAALMNAMAPTALDH1A1KCNJ1
SCHEMBL1281660 0.79 SMN1; SMN2 (0.42) GAAAKR1B1MMP13ERN1MMP2
SCHEMBL23579621 0.77 NQO2 (0.43) GAARHEBLMNAMAPTALDH1A1
SCHEMBL4888425 0.77 PKN1 (0.55) GAAMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL18152651 0.76 IDO1 (0.40) GAAIDO1TDO2
SCHEMBL18152708 0.76 RIPK1 (0.41) GRIN1GRIN2BIDO1TDO2
Hydrochloric Acid SCHEMBL4882337 0.75 PKN1 (0.53) GAAMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL1281568 0.74 AKR1B1 (0.35) GAAAKR1B1MMP13ERN1MMP2
SCHEMBL26631533 0.72 DHODH (0.54) KDM4EPKN1PKN2
SCHEMBL28193453 0.71 GAA (0.40) GAALMNAMAPTALDH1A1KCNJ1

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-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 EP disclosed
WO-2004054984-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA PHARMA AG (DE) 2004-07-01 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-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI GAA 72/4885AKR1B1 1760/4885RHEB 2280/4885

“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.