SCHEMBL24810686

SCHEMBL24810686

O=C(NCc1ccccc1)n1cnc(-c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.56
CYP2C19 P33261 5/20 0.56
CYP2C9 P11712 4/20 0.56
CYP2D6 P10635 3/20 0.56
CYP2E1 P05181 3/20 0.56
CYP2A6 P11509 3/20 0.56
CYP2B6 P20813 3/20 0.56
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 3/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CLK4 Q9HAZ1 1/20 0.50
HTT P42858 1/20 0.50
USP19 O94966 1/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 1/20 0.46
NAMPT P43490 2/20 0.46
LIPG Q9Y5X9 1/20 0.46

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
SCHEMBL29817426 1.00 CYP3A4 (0.56) CYP3A4CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL24811030 0.88 CYP2C9 (0.54) CYP3A4CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL29817737 0.88 CYP2C9 (0.54) CYP3A4CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL29817700 0.86 ASAH1 (0.57) CYP3A4CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL24810554 0.86 ASAH1 (0.57) CYP3A4CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL24809374 0.83 CYP2E1 (0.49) CYP3A4CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL29786324 0.83 CYP2E1 (0.49) CYP3A4CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL24810552 0.81 CYP2E1 (0.46) CYP3A4CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL29817570 0.81 CYP2E1 (0.46) CYP3A4CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL24809787 0.81 CYP2A6 (0.46) CYP3A4CYP2C19CYP2C9CYP2D6CYP2E1

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 CYP3A4 1987/4885CYP2C19 741/4885CYP2C9 1421/4885

“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.