SCHEMBL2501110

SCHEMBL2501110

O=C(c1cccc(F)c1)c1cn(-c2cccc(-c3ccccc3Cl)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
GRM5 P41594 3/20 0.41
TUBB4A P04350 6/20 0.40
TUBB P07437 6/20 0.40
TUBA3C P0DPH7 6/20 0.40
TUBA1B P68363 6/20 0.40
TUBA4A P68366 6/20 0.40
TUBB4B P68371 6/20 0.40
TUBB3 Q13509 6/20 0.40
TUBB2A Q13885 6/20 0.40
TUBB8 Q3ZCM7 6/20 0.40
TUBA3E Q6PEY2 6/20 0.40
TUBA1A Q71U36 6/20 0.40
TUBA1C Q9BQE3 6/20 0.40
TUBB6 Q9BUF5 6/20 0.40
TUBB2B Q9BVA1 6/20 0.40
TUBB1 Q9H4B7 6/20 0.40
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2501441 0.93 SCN9A (0.39) SCN9AGRM5TUBB4ATUBBTUBA3C
SCHEMBL2500738 0.91 SCN9A (0.43) SCN9AGRM5TUBB4ATUBBTUBA3C
SCHEMBL2499336 0.88 USP2 (0.38) SCN9AGRM5TUBB4ATUBBTUBA3C
SCHEMBL2498086 0.87 USP2 (0.46) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2498722 0.85 GRM5 (0.36) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2497146 0.85 ADORA2A (0.46) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2498729 0.85 TUBB4A (0.48) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2499128 0.85 GABRA1 (0.41) GRM5
SCHEMBL2499485 0.84 SCN9A (0.39) SCN9AGRM5TUBB4ATUBBTUBA3C
SCHEMBL2499722 0.84 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 8 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 claimed
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 SCN9A 1508/4885GRM5 46/4885TUBB4A 1647/4885

“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.