SCHEMBL2429355

SCHEMBL2429355

O=C(Cn1ccc(-c2ccc(-c3cn4ccccc4n3)cc2)n1)N(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.45
NPC1 O15118 13/20 0.45
SMN1; SMN2 Q16637 8/20 0.45
ALDH1A1 P00352 7/20 0.45
PKM P14618 4/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 8/20 0.44
GFER P55789 3/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
EPHX2 P34913 1/20 0.40
GAA P10253 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
SCHEMBL2432417 0.79 PTGS1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL3891755 0.73 PTGS1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL17668016 0.73 PTGS1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL2425575 0.69 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL2427160 0.69 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL13325909 0.68 RAB9A (0.83) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL13325938 0.67 RAB9A (0.80) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL13325928 0.66 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL12916066 0.66 PTGS1 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL3440320 0.65 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1PKM

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
EP-1956013-B1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO LTD (JP) 2016-04-13 EP disclosed
US-8022075-B2 Diagnostic and remedy for disease caused by amyloid aggregation and/or deposition FUJIFILM RI PHARMA CO., LTD. (JP) 2011-09-20 US disclosed
US-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO., LTD. (JP) 2009-06-25 US disclosed
EP-1956013-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION Fujifilm RI Pharma Co., Ltd. (JP) 2008-08-13 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-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION APP, TTR, BACE1 RAB9A 3111/4885NPC1 533/4885SMN1; SMN2 1106/4885

“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.