SCHEMBL2497600

SCHEMBL2497600

O=C(c1cn(-c2cccc(-c3c(F)ccnc3F)c2)cn1)c1ccco1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 9/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 2/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MLLT3 P42568 1/20 0.34
MLLT1 Q03111 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 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
SCHEMBL2501101 0.87 KMT2A (0.36) KMT2AMAPK14ALDH1A1MEN1POLB
SCHEMBL2498105 0.85 SCN9A (0.39) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL2493245 0.85 MLLT3 (0.36) KDM4EMLLT3MLLT1SCN9ASCN10A
SCHEMBL2496216 0.84 ALDH1A1 (0.46) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL1886019 0.84 KDM4E (0.41) KDM4EMLLT3MLLT1
SCHEMBL2497581 0.83 HSD17B14 (0.39) KMT2AALDH1A1KDM4EMLLT3MLLT1
SCHEMBL2497610 0.83 SCN9A (0.35) KMT2AL3MBTL1MLLT3MLLT1CA1
SCHEMBL2496231 0.83 MAPK14 (0.37) KMT2AMAPK14ALDH1A1MEN1KDM4E
SCHEMBL2495463 0.83 MLLT3 (0.37) KDM4EMLLT3MLLT1SCN9ASCN10A
SCHEMBL2498898 0.82 KDM4C (0.36) KMT2AALDH1A1MEN1L3MBTL1MLLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US claimed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US claimed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP claimed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 WO claimed
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US disclosed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US disclosed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP disclosed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 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-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 KMT2A 1249/4885MAPK14 2464/4885ALDH1A1 569/4885

“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.