SCHEMBL864262

SCHEMBL864262

Cc1cc(N)c(NCCCCCO)cc1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
PRSS1 P07477 8/20 0.44
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
NQO2 P16083 4/20 0.37
BRD4 O60885 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
SCHEMBL12959658 0.84 PRSS1 (0.41) PRSS1HDAC6GPR84
SCHEMBL864351 0.81 KDM4E (0.47) ALDH1A1PRSS1KDM4EGAAMAPT
SCHEMBL28423866 0.79 KDM4E (0.45) ALDH1A1PRSS1KDM4EGAAMAPT
SCHEMBL6253238 0.78 HDAC6 (0.61) ALDH1A1PRSS1KDM4EGAAMAPT
SCHEMBL13496382 0.77 GUCY1A1 (0.58) ALDH1A1PRSS1KDM4EGAAMAPT
SCHEMBL6229305 0.77 ALDH1A1 (0.53) ALDH1A1PRSS1KDM4EGAAMAPT
SCHEMBL6227163 0.77 ALDH1A1 (0.53) ALDH1A1PRSS1KDM4EGAAMAPT
SCHEMBL12958717 0.77 PRSS1 (0.36) ALDH1A1PRSS1KDM4EGAAMAPT
SCHEMBL4859786 0.77 ALDH1A1 (0.49) ALDH1A1PRSS1KDM4EGAAMAPT
Hydrochloric Acid SCHEMBL4864775 0.77 HDAC6 (0.60) ALDH1A1PRSS1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO 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 (2 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS ALDH1A1 807/4885PRSS1 2425/4885KDM4E 1942/4885
US-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS ALDH1A1 807/4885PRSS1 2425/4885KDM4E 1942/4885

“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.