SCHEMBL24810554

SCHEMBL24810554

O=C(NCCCc1ccccc1)n1cnc(-c2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 6/20 0.57
EPHX2 P34913 2/20 0.54
CYP2E1 P05181 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PTAFR P25105 2/20 0.49
NAMPT P43490 2/20 0.47
EPHX1 P07099 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29817700 1.00 ASAH1 (0.57) ASAH1EPHX2CYP2E1CYP3A4CYP2D6
SCHEMBL24811030 0.93 CYP2C9 (0.54) ASAH1EPHX2CYP2E1CYP3A4CYP2D6
SCHEMBL29817737 0.93 CYP2C9 (0.54) ASAH1EPHX2CYP2E1CYP3A4CYP2D6
SCHEMBL24809675 0.91 ASAH1 (0.50) ASAH1EPHX2NAMPTNPC1RAB9A
SCHEMBL24810686 0.86 CYP3A4 (0.56) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL29817426 0.86 CYP3A4 (0.56) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL25080837 0.84 ASAH1 (0.49) ASAH1EPHX2PTAFRNAMPTMEN1
SCHEMBL24809404 0.83 ALDH1A1 (0.47) ASAH1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24810552 0.82 CYP2E1 (0.46) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL24810724 0.82 CYP2A6 (0.47) ASAH1EPHX2CYP2E1CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-29 US disclosed
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN 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-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, CLN6 ASAH1 16/4885EPHX2 3109/4885CYP2E1 2572/4885

“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.