SCHEMBL6403236

SCHEMBL6403236

Clc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 3/20 0.61
LMNA P02545 3/20 0.61
KDM4E B2RXH2 2/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
METAP2 P50579 1/20 0.60
HTT P42858 2/20 0.59
MAPT P10636 2/20 0.58
NPBWR1 P48145 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MCHR1 Q99705 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
TERT O14746 2/20 0.53
KMT2A Q03164 2/20 0.53
ABL1 P00519 1/20 0.53
RIN1 Q13671 1/20 0.53

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
SCHEMBL27940234 0.87 SMN1; SMN2 (0.73) MAPK1ALDH1A1LMNAKDM4EHPGD
SCHEMBL11511053 0.84 MAPK1 (0.79) MAPK1ALDH1A1LMNAKDM4EMETAP2
SCHEMBL6402415 0.83 ALDH1A1 (0.74) ALDH1A1LMNAKDM4EPKMHPGD
SCHEMBL4215001 0.82 ALDH1A1 (0.71) MAPK1ALDH1A1LMNAKDM4EPKM
SCHEMBL6404125 0.78 GAA (0.71) MAPK1ALDH1A1LMNAKDM4EHPGD
SCHEMBL6410613 0.78 KMT2A (0.76) MAPK1ALDH1A1LMNATSHRHTT
SCHEMBL27940235 0.78 ALDH1A1 (0.71) MAPK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL14427600 0.77 MAPK1 (0.71) MAPK1ALDH1A1LMNAKDM4EHTT
SCHEMBL15983421 0.77 MAPK1 (1.00) MAPK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL27952226 0.77 MAPK1 (0.71) MAPK1ALDH1A1LMNAKDM4EHPGD

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 MAPK1 4613/4885ALDH1A1 720/4885LMNA 4116/4885

“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.