SCHEMBL2428146

SCHEMBL2428146

CCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(-c4ccn(C(=O)O)n4)cc3)cn2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.40
KDM4E B2RXH2 11/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HRH3 Q9Y5N1 3/20 0.38
NPC1 O15118 10/20 0.38
RAB9A P51151 10/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
HPGD P15428 5/20 0.38
POLB P06746 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A3 P47895 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL1727285 0.81 NPC1 (0.49) ALDH1A1KDM4EKMT2AMEN1HSP90AA1
SCHEMBL2904434 0.79 ALDH1A3 (0.54) ALDH1A1KDM4EKMT2AMEN1HRH3
SCHEMBL15940370 0.78 HRH3 (0.43) ALDH1A1KDM4EKMT2AMEN1HRH3
SCHEMBL1727131 0.77 APP (0.59)
SCHEMBL2904661 0.77 ALDH1A3 (0.60) ALDH1A1KDM4EHRH3NPC1RAB9A
SCHEMBL1726214 0.76 RAB9A (0.56) ALDH1A1KDM4EKMT2AMEN1HRH3
SCHEMBL1727327 0.76 HRH3 (0.57) ALDH1A1KDM4EHRH3NPC1RAB9A
SCHEMBL2435107 0.75 HRH3 (0.43) ALDH1A1KDM4EKMT2AMEN1HRH3
SCHEMBL1726366 0.75 HRH3 (0.56) ALDH1A1KDM4EHRH3NPC1RAB9A
SCHEMBL15939999 0.74 CYP19A1 (0.44) ALDH1A1KDM4EKMT2AMEN1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2231/4885KDM4E 3451/4885KMT2A 3062/4885

“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.