SCHEMBL6407005

SCHEMBL6407005

O=C(O)c1ccc(CSc2nnc(-c3cccc(Cl)c3)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 4/20 0.45
ALDH1A1 P00352 2/20 0.45
VCP P55072 1/20 0.45
PIN1 Q13526 2/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
TYMP P19971 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSB P07858 1/20 0.42
TOP2A P11388 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42

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
SCHEMBL6404980 0.87 L3MBTL1 (0.52) ALDH1A1PIN1HPGDLMNAL3MBTL1
SCHEMBL6403939 0.86 VCP (0.50) ACMSDALDH1A1VCPPIN1HPGD
SCHEMBL6408310 0.81 KMT2A (0.52) ACMSDALDH1A1VCPHPGDLMNA
SCHEMBL6406023 0.75 NPC1 (0.47) ALDH1A1HPGDLMNAL3MBTL1MEN1
SCHEMBL6404560 0.74 HPGD (0.51) ACMSDALDH1A1HPGDLMNAL3MBTL1
SCHEMBL6840369 0.73 RXRA (0.54) ALDH1A1HPGDLMNARXRARXRB
SCHEMBL14907836 0.73 APEX1 (0.51) ACMSDALDH1A1HPGDTYMPKMT2A
SCHEMBL6411081 0.73 SCN9A (0.47) ACMSDALDH1A1HPGDLMNACYP1A2
SCHEMBL6015583 0.73 CYP1A2 (0.45) ALDH1A1LMNAL3MBTL1CYP1A2CYP2E1
SCHEMBL6408132 0.71 HRH1 (0.41) ALDH1A1PIN1TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT ACMSD 3437/4885ALDH1A1 720/4885VCP 876/4885

“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.