SCHEMBL19002876

SCHEMBL19002876

Cc1ccc(NCN(CN(CO)c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
POLB P06746 3/20 0.38
HTT P42858 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
BLM P54132 1/20 0.38
PLEC Q15149 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL17348254 0.87 CNR2 (0.33) MAPTPOLBHTTALDH1A1KMT2A
SCHEMBL17343555 0.87 MAPT (0.42) MAPTALDH1A1KMT2AMAPK1KDM4E
SCHEMBL20506766 0.77 MEN1 (0.42) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL20499799 0.76 F13A1 (0.39) MAPTPOLBALDH1A1KMT2AMAPK1
SCHEMBL145821 0.75 CYP2C19 (0.50) MAPTPOLBHTTALDH1A1MAPK1
SCHEMBL19646065 0.75 APP (0.46) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL20506762 0.72 ALDH1A1 (0.33) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL21707451 0.70 MEN1 (0.37) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL17689350 0.70 ALDH1A1 (0.46) MAPTHTTALDH1A1KMT2AMAPK1
SCHEMBL7637421 0.70 MAPT (0.52) MAPTPOLBHTTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170173170-A1 METHODS AND MATERIALS FOR THERAPEUTIC DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-06-22 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-20170173170-A1 METHODS AND MATERIALS FOR THERAPEUTIC DELIVERY PAICS, PHPT1, MAPT MAPT 3/4885POLB 1233/4885HTT 7/4885

“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.