SCHEMBL6403533

SCHEMBL6403533

Sc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 3/20 0.49
GAA P10253 4/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
VCP P55072 1/20 0.46
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 2/20 0.41
PTGES O14684 1/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6405215 0.89 GAA (0.62) ALDH1A1TSHRLMNAGAAKDM4E
SCHEMBL6403944 0.85 ALDH1A1 (0.60) ALDH1A1TSHRGAAKDM4ESMN1; SMN2
SCHEMBL6406630 0.81 GAA (0.62) ALDH1A1TSHRLMNAGAAKDM4E
SCHEMBL6409638 0.78 ALDH1A1 (0.63) ALDH1A1TSHRLMNAGAAKDM4E
SCHEMBL6408598 0.78 LMNA (0.61) ALDH1A1TSHRLMNAGAAKDM4E
SCHEMBL6410540 0.77 ALDH1A1 (0.53) ALDH1A1LMNAGAAKDM4EVCP
SCHEMBL6404661 0.73 KMT2A (0.51) ALDH1A1LMNAGAAKDM4ESMN1; SMN2
SCHEMBL541447 0.70 ALDH1A1 (0.42) ALDH1A1TSHRGAAKDM4EVCP
SCHEMBL1104410 0.70 MDM2 (0.46) ALDH1A1TSHRLMNAGAAKDM4E
SCHEMBL631634 0.69 LMNA (0.59) ALDH1A1TSHRLMNAGAAKDM4E

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 ALDH1A1 720/4885TSHR 3470/4885LMNA 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.