SCHEMBL2501423

SCHEMBL2501423

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.40
SCN9A Q15858 2/20 0.38
MLLT3 P42568 1/20 0.38
MLLT1 Q03111 1/20 0.38
NOTUM Q6P988 1/20 0.37
DHODH Q02127 4/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
GRM5 P41594 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
IDO1 P14902 1/20 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
SCHEMBL1887879 0.91 CTSA (0.42) CTSASCN9AMLLT3MLLT1DHODH
SCHEMBL2503546 0.88 CTSA (0.39) CTSASCN9AMLLT3MLLT1NOTUM
SCHEMBL2493511 0.87 CYP11B2 (0.38) SCN9AMLLT3MLLT1NOTUMDHODH
SCHEMBL2502794 0.86 CTSA (0.37) CTSASCN9AMLLT3MLLT1NOTUM
SCHEMBL2503558 0.85 SCN9A (0.49) CTSASCN9AMLLT3MLLT1NOTUM
SCHEMBL2495380 0.84 NOTUM (0.38) CTSASCN9AMLLT3MLLT1NOTUM
SCHEMBL2497153 0.84 RAB9A (0.40) CTSASCN9AMLLT3MLLT1NOTUM
SCHEMBL1884790 0.84 NOTUM (0.60) CTSASCN9ANOTUMMAPTGRM5
SCHEMBL2496195 0.83 DHODH (0.37) CTSASCN9AMLLT3MLLT1NOTUM
SCHEMBL2495899 0.83 NOTUM (0.37) CTSASCN9AMLLT3MLLT1NOTUM

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 5 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 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 CTSA 3719/4885SCN9A 1508/4885MLLT3 3352/4885

“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.