SCHEMBL6406624

SCHEMBL6406624

CCn1c(COc2ccccc2)nnc1SCc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
SMN1; SMN2 Q16637 6/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.56
POLB P06746 2/20 0.56
ADRB2 P07550 1/20 0.56
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
MAPT P10636 3/20 0.53
CYP2D6 P10635 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51

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
SCHEMBL6403245 0.84 TSHR (0.82) TSHRSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL6404280 0.82 SIRT2 (0.72) TSHRSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL4206437 0.81 SMN1; SMN2 (0.78) TSHRSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL6264446 0.80 TSHR (0.64) TSHRSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL6404099 0.78 NPSR1 (0.65) TSHRSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL4212076 0.78 HTT (0.52) SMN1; SMN2L3MBTL1ALDH1A1LMNAHTT
SCHEMBL6264442 0.77 TSHR (0.61) TSHRSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL28043508 0.77 NPC1 (0.66) SMN1; SMN2L3MBTL1ALDH1A1LMNAHTT
SCHEMBL6404140 0.77 TSHR (0.71) TSHRSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL14907781 0.75 LMNA (0.69) TSHRSMN1; SMN2L3MBTL1ALDH1A1LMNA

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 TSHR 3470/4885SMN1; SMN2 4793/4885L3MBTL1 2749/4885

“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.