SCHEMBL2493460

SCHEMBL2493460

O=C(c1cn(-c2cccc(-c3cccnc3Cl)c2)cn1)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
RAB9A P51151 2/20 0.36
MAPT P10636 6/20 0.36
KDM4E B2RXH2 5/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
CTSA P10619 1/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
ALOX12 P18054 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CCR6 P51684 1/20 0.35
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2501101 0.88 KMT2A (0.36) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL2496157 0.88 SCN9A (0.43) ALDH1A1RAB9AMAPTKDM4EHTT
SCHEMBL2503546 0.85 CTSA (0.39) RAB9AMAPTKMT2AMEN1CTSA
SCHEMBL2502794 0.83 CTSA (0.37) ALDH1A1RAB9AMAPTKDM4EKMT2A
SCHEMBL2496216 0.83 ALDH1A1 (0.46) ALDH1A1RAB9AMAPTKMT2AMEN1
SCHEMBL2501423 0.83 CTSA (0.40) RAB9AMAPTKMT2AMEN1CTSA
SCHEMBL1887879 0.83 CTSA (0.42) KDM4ECTSASMN1; SMN2LMNASCN9A
SCHEMBL2496195 0.82 DHODH (0.37) RAB9AKMT2ACTSASCN9AMLLT3
SCHEMBL2494242 0.81 GABRA1 (0.41) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL2500306 0.81 SMN1; SMN2 (0.41) ALDH1A1MAPTKDM4EKMT2AMEN1

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 ALDH1A1 569/4885RAB9A 1662/4885MAPT 378/4885

“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.