SCHEMBL3548030

SCHEMBL3548030

COc1cc(OCCN2CCOCC2)ccc1NNc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 1/20 0.52
LTA4H P09960 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
PTPN1 P18031 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SYK P43405 1/20 0.48
EPHX2 P34913 2/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47

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
SCHEMBL3401694 0.78 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRSMN1; SMN2NPSR1
Aniline SCHEMBL3548033 0.78 NPC1 (0.54) NPC1RAB9ALTA4HALDH1A1KDM4E
SCHEMBL1911850 0.78 NPC1 (0.66) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL29788588 0.77 ALDH1A1 (0.58) NPC1RAB9ALTA4HMAPK1ALDH1A1
SCHEMBL375708 0.77 ALDH1A1 (0.58) NPC1RAB9ALTA4HMAPK1ALDH1A1
SCHEMBL12311750 0.75 NPC1 (0.70) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL11876984 0.75 NPC1 (0.70) NPC1RAB9ALTA4HALDH1A1KDM4E
SCHEMBL12312257 0.74 ALDH1A1 (0.58) NPC1RAB9ALTA4HMAPK1ALDH1A1
SCHEMBL13791083 0.74 SYK (0.59) NPC1MAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL15474582 0.74 ALDH1A1 (0.54) NPC1RAB9ALTA4HALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 NPC1 13/4885RAB9A 1172/4885LTA4H 832/4885

“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.