SCHEMBL2495969

SCHEMBL2495969

COc1ccc(C(=O)c2cn(-c3cccc(-c4cccnc4Cl)c3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 2/20 0.38
PDE10A Q9Y233 1/20 0.37
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
CDK5 Q00535 1/20 0.36
PAX8 Q06710 1/20 0.36
CDK5R1 Q15078 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP30 Q70CQ3 1/20 0.36
TUBB4A P04350 6/20 0.36
TUBB P07437 6/20 0.36
TUBA3C P0DPH7 6/20 0.36
TUBA1B P68363 6/20 0.36
TUBA4A P68366 6/20 0.36
TUBB4B P68371 6/20 0.36
TUBB3 Q13509 6/20 0.36

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
SCHEMBL2494642 0.91 RXFP1 (0.41) RXFP1HPGDUSP30TUBB4ATUBB
SCHEMBL2498691 0.89 CTSD (0.46) CYP11B1CYP11B2PDE10AUSP30TUBB4A
SCHEMBL2496625 0.88 SCN9A (0.44) CYP11B1CYP11B2RAB9ANPC1TUBB4A
SCHEMBL2497153 0.87 RAB9A (0.40) RAB9ANPC1PKMSMN1; SMN2TUBB4A
SCHEMBL2501083 0.85 TUBB4A (0.44) USP30TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2496584 0.84 RORB (0.42) RAB9ANPC1TUBB4ATUBBTUBA3C
SCHEMBL2501204 0.84 ALDH1A1 (0.47) HPGDSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL2503546 0.84 CTSA (0.39) RAB9ANPC1PKMSMN1; SMN2NOTUM
SCHEMBL2501518 0.83 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2499336 0.82 USP2 (0.38) RAB9ANPC1SMN1; SMN2TUBB4ATUBB

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 CYP11B1 145/4885CYP11B2 135/4885RAB9A 1662/4885

“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.