SCHEMBL13535271

SCHEMBL13535271

CC(=O)[C@@H]1CN(Cc2cccnc2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 1/20 0.47
POLB P06746 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL27802495 0.90 CHRNB2 (0.51) KMT2AALDH1A1MAPTHTTCHRNB2
SCHEMBL27779058 0.89 ALDH1A1 (0.53) KMT2AALDH1A1MAPTHTTCHRNB2
SCHEMBL27778860 0.89 ALDH1A1 (0.53) KMT2AALDH1A1MAPTHTTCHRNB2
SCHEMBL27778861 0.89 ALDH1A1 (0.53) KMT2AALDH1A1MAPTHTTCHRNB2
SCHEMBL5190875 0.88 ALDH1A1 (0.49) KMT2AALDH1A1MAPTHTTCHRNB2
SCHEMBL29976288 0.84 ALDH1A1 (0.44) KMT2AALDH1A1MAPTHTTCHRNB2
SCHEMBL13535512 0.82 CHRNB2 (0.56) KMT2AALDH1A1MAPTHTTCHRNB2
SCHEMBL5191569 0.79 ALDH1A1 (0.47) KMT2AALDH1A1MAPTHTTCHRNB2
SCHEMBL2479501 0.77 MLNR (0.40)
SCHEMBL12640183 0.76 KMT2A (0.64) KMT2AALDH1A1MAPTHTTCHRNB2

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-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 KMT2A 3740/4885ALDH1A1 3337/4885MAPT 1076/4885

“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.