SCHEMBL3816499

SCHEMBL3816499

NCCNC(=O)Nc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ HTT P42858 2/20 0.68
▸ GAA P10253 1/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ NPC1 O15118 7/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ ADORA2A P29274 1/20 0.57
▸ ADORA2B P29275 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ FLT3 P36888 1/20 0.57
▸ PIM3 Q86V86 1/20 0.57
▸ AURKB Q96GD4 1/20 0.57
▸ PKM P14618 2/20 0.56
▸ LMNA P02545 1/20 0.54
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TSHR P16473 1/20 0.50
▸ ALOX12 P18054 1/20 0.49

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
SCHEMBL5050746 0.84 SMN1; SMN2 (0.68) SMN1; SMN2HTTGAARAB9ANPC1
SCHEMBL10985519 0.84 SMN1; SMN2 (0.83) SMN1; SMN2HTTGAARAB9ANPC1
SCHEMBL13715508 0.83 SMN1; SMN2 (0.71) SMN1; SMN2HTTGAARAB9ANPC1
SCHEMBL9750118 0.80 NPC1 (0.81) SMN1; SMN2GAARAB9ANPC1ADORA3
SCHEMBL2361098 0.80 HTT (0.91) SMN1; SMN2HTTGAARAB9ANPC1
SCHEMBL12818956 0.80 ITGB3 (0.52) SMN1; SMN2HTTGAARAB9ANPC1
SCHEMBL12410301 0.80 SMN1; SMN2 (0.72) SMN1; SMN2HTTGAARAB9ANPC1
SCHEMBL3816022 0.80 HTT (0.46) SMN1; SMN2HTTGAARAB9ANPC1
SCHEMBL1171563 0.79 SMN1; SMN2 (0.70) SMN1; SMN2HTTGAARAB9ANPC1
SCHEMBL2433846 0.79 SMN1; SMN2 (0.62) SMN1; SMN2HTTGAARAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430040-B1 BENZOTHIAZEPINE DERIVATIVES ALBIREO AB (SE) 2009-08-05 — — EP disclosed
US-7192946-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 — — US disclosed
US-20040254160-A1 Benzothiazepine derivatives ELOBIX AB (SE) 2004-12-16 — — 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-20040254160-A1 Benzothiazepine derivatives SLC10A2, SLC10A1, ABCB11 SMN1; SMN2 4599/4885HTT 1937/4885GAA 1070/4885

“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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