SCHEMBL3870652

SCHEMBL3870652

O=C(CCCOc1c[c]ccc1)N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.71
RAB9A P51151 8/20 0.71
SMN1; SMN2 Q16637 7/20 0.71
NPC1 O15118 7/20 0.71
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HTT P42858 1/20 0.60
TSHR P16473 5/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
ACHE P22303 1/20 0.47
USP2 O75604 1/20 0.45

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
SCHEMBL3154775 0.99 RAB9A (0.68) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3161468 0.87 USP2 (0.62) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3160687 0.87 SMN1; SMN2 (0.57) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3175249 0.85 HPGD (0.57) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3174328 0.83 HPGD (0.74) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3160001 0.83 KMT2A (0.58) HPGDRAB9ANPC1KMT2AALDH1A1
SCHEMBL3163742 0.82 HPGD (0.71) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3170212 0.79 HPGD (0.63) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7003433 0.77 L3MBTL1 (0.42) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL6314345 0.77 FFAR4 (0.50) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809570-B [1,2,4] triazolo [1,5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK 2011-06-22 CN disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
CN-1809570-A [1,2,4] triazolo [1, 5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK (JP) 2006-07-26 CN disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 HPGD 2052/4885RAB9A 1475/4885SMN1; SMN2 3178/4885

“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.