SCHEMBL6409499

SCHEMBL6409499

COc1ccccc1-n1c(SC/C=C/c2ccccc2)nnc1-c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPSR1 Q6W5P4 4/20 0.56
HTT P42858 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 5/20 0.52
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
TSHR P16473 6/20 0.52
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6409503 1.00 MAPT (0.56) MAPTNPSR1HTTCRHBPCRHR2
SCHEMBL6406629 0.82 TSHR (0.55) MAPTNPSR1ALDH1A1TSHRLMNA
SCHEMBL6403476 0.82 TSHR (0.55) MAPTNPSR1ALDH1A1TSHRLMNA
SCHEMBL6411991 0.81 TSHR (0.56) MAPTNPSR1CRHBPCRHR2ALDH1A1
SCHEMBL6405347 0.77 GAA (0.53) MAPTNPSR1HTTALDH1A1TSHR
1,2,4-Triazole SCHEMBL6408146 0.73 TSHR (0.45) NPSR1TSHRLMNAGAA
SCHEMBL6408031 0.72 TSHR (0.65) ALDH1A1TSHRLMNAGAAAVPR2
SCHEMBL6411005 0.70 TSHR (0.54) TSHRAVPR2AVPR1AL3MBTL1
SCHEMBL6405115 0.69 TSHR (0.61) NPSR1TSHRAVPR2AVPR1A
SCHEMBL6402385 0.69 ALDH1A1 (0.57) NPSR1ALDH1A1TSHRLMNANPC1

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 MAPT 2111/4885NPSR1 4536/4885HTT 2113/4885

“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.