SCHEMBL2495902

SCHEMBL2495902

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
MLLT3 P42568 1/20 0.44
MLLT1 Q03111 1/20 0.44
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NAMPT P43490 1/20 0.42
KDM4E B2RXH2 1/20 0.41
USP30 Q70CQ3 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 2/20 0.40
FGFR1 P11362 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39

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 0.91 MLLT3 (0.46) POLBLMNAHTTMLLT3MLLT1
SCHEMBL2497658 0.89 LMNA (0.45) POLBLMNAHTTMLLT3MLLT1
SCHEMBL2498081 0.85 MLLT3 (0.46) POLBLMNAHTTMLLT3MLLT1
SCHEMBL2496574 0.84 MAPT (0.49) LMNAMLLT3MLLT1ALDH1A1USP30
SCHEMBL2497173 0.82 MLLT3 (0.46) POLBLMNAHTTMLLT3MLLT1
SCHEMBL12191226 0.81 SMN1; SMN2 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2PDE4B
SCHEMBL2498711 0.81 MLLT3 (0.41) LMNAHTTMLLT3MLLT1ALDH1A1
SCHEMBL1879440 0.81 MEN1 (0.51) ALDH1A1SMN1; SMN2PDE4BPDE4DMAPT
SCHEMBL1880372 0.80 TP53 (0.48) ALDH1A1KDM4ESMN1; SMN2FGFR1TUBB4A
SCHEMBL2497680 0.79 CYP2D6 (0.48) POLBHTTMLLT3MLLT1ALDH1A1

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 9 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
CN-101282942-A Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH AS (DK) 2008-10-08 CN 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
CN-101282942-A Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH AS (DK) 2008-10-08 CN 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 POLB 4592/4885LMNA 3800/4885HTT 1164/4885

“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.