SCHEMBL2425575

SCHEMBL2425575

CC(=O)n1ccc(-c2ccc(-c3cn4cc(CN(Cc5ccccn5)Cc5ccccn5)ccc4n3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 6/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
APP P05067 2/20 0.37
ALDH1A3 P47895 3/20 0.36
FFAR1 O14842 1/20 0.36
ADRB2 P07550 1/20 0.35
METTL3 Q86U44 1/20 0.35
ALDH1A2 O94788 1/20 0.35
SLC2A1 P11166 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PKM P14618 2/20 0.34

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
SCHEMBL12291871 0.80 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2434190 0.79 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2435898 0.77 ALDH1A3 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2429355 0.69 RAB9A (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17677080 0.66 MAP3K5 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL21211528 0.63 TDP1 (0.70) SMN1; SMN2KDM4EPOLBAPPCYP1A2
SCHEMBL18211842 0.63 NPSR1 (0.63) ALDH1A1SMN1; SMN2KDM4EPOLBAPP
SCHEMBL19322182 0.62 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12916066 0.62 PTGS1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30191149 0.62 SMN1; SMN2 (0.79) ALDH1A1SMN1; SMN2APPCYP1A2KMT2A

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 7 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
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-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
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 ALDH1A1 2231/4885NPC1 533/4885RAB9A 3111/4885

“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.