SCHEMBL2496574

SCHEMBL2496574

C=CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 7/20 0.45
LMNA P02545 5/20 0.43
MLLT3 P42568 1/20 0.41
MLLT1 Q03111 1/20 0.41
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
FGFR1 P11362 1/20 0.39
USP30 Q70CQ3 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2495414 0.86 MLLT3 (0.46) MAPTSMN1; SMN2ALDH1A1LMNAMLLT3
SCHEMBL2495902 0.84 POLB (0.47) MAPTSMN1; SMN2ALDH1A1LMNAMLLT3
SCHEMBL2497658 0.82 LMNA (0.45) MAPTNPC1ALDH1A1LMNAMLLT3
SCHEMBL2498081 0.82 MLLT3 (0.46) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27717417 0.81 NOTUM (0.43) MAPTSMN1; SMN2ALDH1A1FGFR1MEN1
SCHEMBL2497173 0.79 MLLT3 (0.46) SMN1; SMN2ALDH1A1LMNAMLLT3MLLT1
SCHEMBL1880372 0.79 TP53 (0.48) SMN1; SMN2ALDH1A1FGFR1
SCHEMBL12191226 0.78 SMN1; SMN2 (0.51) MAPTSMN1; SMN2ALDH1A1FGFR1MEN1
SCHEMBL2498711 0.78 MLLT3 (0.41) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1879440 0.78 MEN1 (0.51) MAPTSMN1; SMN2ALDH1A1FGFR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 378/4885RAB9A 1662/4885NPC1 906/4885

“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.