SCHEMBL2495099

SCHEMBL2495099

O=C(c1cn(-c2cccc([N+](=O)[O-])c2)cn1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ PAX8 Q06710 1/20 0.49
▸ PHGDH O43175 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ SLC6A9 P48067 3/20 0.48
▸ SLC6A5 Q9Y345 3/20 0.48
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ IDE P14735 1/20 0.46

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
SCHEMBL2500623 0.90 RXFP1 (0.52) KDM4ESMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL2498210 0.87 PDE4D (0.53) SMN1; SMN2ALDH1A1RAB9AL3MBTL1KMT2A
SCHEMBL1880372 0.80 TP53 (0.48) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12191226 0.79 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2ALDH1A1KMT2APKM
SCHEMBL2493717 0.76 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL2498081 0.76 MLLT3 (0.46) KDM4ESMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL1879440 0.76 MEN1 (0.51) SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL30568796 0.75 KDM4E (1.00) KDM4ESMN1; SMN2MGLLPHGDHALDH1A1
SCHEMBL520435 0.75 KDM4E (1.00) KDM4ESMN1; SMN2MGLLPHGDHALDH1A1
SCHEMBL29414171 0.74 SMN1; SMN2 (0.63) KDM4ESMN1; SMN2PHGDHALDH1A1RAB9A

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 KDM4E 2002/4885SMN1; SMN2 2976/4885MGLL 4127/4885

“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.

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