SCHEMBL2655142

SCHEMBL2655142

O=[N+]([O-])C1CC1c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.48
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SLC9A1 P19634 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
FBP1 P09467 1/20 0.36
POLB P06746 1/20 0.36
HSPB1 P04792 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9241939 0.82 KDM1A (0.40) KDM1ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL1524088 0.81 KDM1A (0.48) KDM1AHTR2CHTR2BMEN1KMT2A
SCHEMBL2755972 0.81 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL17718447 0.81 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL12860014 0.81 KDM1A (0.48) KDM1AHTR2CHTR2BMEN1KMT2A
SCHEMBL27233654 0.81 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL1524090 0.81 KDM1A (0.48) KDM1AHTR2CHTR2BMEN1KMT2A
SCHEMBL12242256 0.81 KDM1A (0.48) KDM1AHTR2CHTR2BMEN1KMT2A
SCHEMBL15024131 0.80 HTR2A (0.46) KDM1AHTR2AHTR2CHTR2BMEN1
SCHEMBL12285911 0.80 HTR2A (0.46) KDM1AHTR2AHTR2CHTR2BMEN1

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-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
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex ANIONA APS (DK) 2006-07-06 US 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-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 (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-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB2, GABRB1, GABRB3 KDM1A 2289/4885SLC6A2 279/4885SLC6A4 233/4885

“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.