SCHEMBL1887879

SCHEMBL1887879

O=C(O)c1cn(-c2cccc(-c3cccnc3Cl)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.42
KDM4E B2RXH2 1/20 0.41
DHODH Q02127 3/20 0.41
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 1/20 0.38
MLLT3 P42568 1/20 0.38
MLLT1 Q03111 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
SCHEMBL2501423 0.91 CTSA (0.40) CTSADHODHSCN9AMLLT3MLLT1
SCHEMBL2503546 0.88 CTSA (0.39) CTSADHODHLMNASMN1; SMN2SCN9A
SCHEMBL2502794 0.86 CTSA (0.37) CTSAKDM4EDHODHSCN9AMLLT3
SCHEMBL1887383 0.86 KDM4E (0.41) KDM4EDHODHMLLT3MLLT1
SCHEMBL1878128 0.85 SCN9A (0.49) KDM4ESCN9A
SCHEMBL2495380 0.84 NOTUM (0.38) CTSAKDM4EDHODHSMN1; SMN2SCN9A
SCHEMBL1884790 0.84 NOTUM (0.60) CTSAKDM4ESCN9A
SCHEMBL2497153 0.84 RAB9A (0.40) CTSADHODHSMN1; SMN2SCN9AMLLT3
SCHEMBL2495899 0.83 NOTUM (0.37) CTSADHODHSCN9AMLLT3MLLT1
SCHEMBL2493513 0.83 CTSA (0.46) CTSASCN9AMLLT3MLLT1

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-7939556-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-05-10 US claimed
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 US claimed
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US disclosed
US-7939556-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-05-10 US disclosed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US disclosed
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 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 (2 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-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX GABRB1, GABRB2, GABRB3 CTSA 2945/4885KDM4E 2635/4885DHODH 4245/4885
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 CTSA 3719/4885KDM4E 2002/4885DHODH 4009/4885

“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.