SCHEMBL6402456

SCHEMBL6402456

O=C(CSc1nnc(-c2ccncc2)[nH]1)c1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ HTT P42858 2/20 0.59
▸ MAPT P10636 6/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ PTGES O14684 2/20 0.53
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ RECQL P46063 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ PSMD14 O00487 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46

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
SCHEMBL6404632 0.81 HSD17B10 (0.66) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL17885043 0.80 KMT2A (0.58) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL23527295 0.79 HPGD (0.60) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL30919323 0.73 KMT2A (0.72) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL15709357 0.73 KMT2A (0.72) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL17214882 0.72 KMT2A (0.48) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL23527317 0.72 KMT2A (0.58) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL13831257 0.71 KMT2A (0.60) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL15731791 0.71 HSD17B10 (0.65) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL23527338 0.71 PTGES (0.59) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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 KMT2A 2263/4885MEN1 3562/4885HTT 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.

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