SCHEMBL13106181

SCHEMBL13106181

Cc1c2c(F)cc(F)cc2nn1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 6/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PDE10A Q9Y233 3/20 0.33
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31

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
SCHEMBL18622406 0.81 NMT1 (0.42) CHRM4NMT1
SCHEMBL13106183 0.81 HSD11B1 (0.37) CHRM4PDE10ANMT1PDE2A
SCHEMBL30480710 0.72 ADORA2A (0.45) KDM4EHTTPDE10APDK1PDK2
SCHEMBL613838 0.72 ADORA2A (0.45) KDM4EHTTPDE10APDK1PDK2
SCHEMBL13106294 0.71 PDE10A (0.40) CHRM4KDM4EHTTPDE10ANMT1
SCHEMBL13106176 0.71 KIT (0.44) CHRM4KDM4EHTTPDE10A
SCHEMBL13106185 0.69 CHRM4 (0.39) CHRM4HTTPDK1PDK2NMT1
SCHEMBL21171659 0.68 ADCY10 (0.36) CHRM4HTTNMT1
SCHEMBL16369657 0.68 CHRM4 (0.36) CHRM4NMT1
SCHEMBL13106281 0.68 CHRM4 (0.38) CHRM4HTTNMT1

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-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 — — US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 — — US 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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 CHRM4 4819/4885KDM4E 4335/4885HTT 2323/4885

“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.

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