SCHEMBL10119596

SCHEMBL10119596

CN(C)N=Nc1ccc(C(=O)c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CTRC Q99895 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ PPARA Q07869 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
SCHEMBL38750 1.00 NPC1 (0.52) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL42618 0.89 SMN1; SMN2 (0.47) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL42619 0.89 SMN1; SMN2 (0.47) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL38663 0.86 PPARA (0.51) NPC1MAPTRAB9APPARA
SCHEMBL43048 0.86 PPARA (0.51) NPC1MAPTRAB9APPARA
SCHEMBL47175 0.86 MAPT (0.62) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL12966546 0.85 PPARA (0.57) NPC1MAPTRAB9APPARA
SCHEMBL14506325 0.85 PPARA (0.47) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL5444450 0.85 PPARA (0.47) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL5444445 0.85 PPARA (0.47) NPC1MAPTRAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426390-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2013-04-23 — — US disclosed
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN THERAPEUTICS GMBH (DE) 2012-02-02 — — US disclosed
US-8034797-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2011-10-11 — — US disclosed
US-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN PHARMA GMBH (CH) 2010-09-16 — — 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 (2 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-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL NPC1 264/4885MAPT 1925/4885RAB9A 409/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL NPC1 264/4885MAPT 1925/4885RAB9A 409/4885

“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.

Send feedback