SCHEMBL864627

SCHEMBL864627

Cc1ccc(NCC(O)C(O)C(O)CO)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MAPT P10636 6/20 0.46
MEN1 O00255 6/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 6/20 0.44
PPIA P62937 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 3/20 0.43
ALOX12 P18054 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL10251536 1.00 KMT2A (0.46) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL9651830 0.81 MAPT (0.50) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL11312217 0.78 MAPT (0.45) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL864426 0.77 MAPT (0.47) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL10254545 0.77 MAPT (0.47) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL2938667 0.76 MEN1 (0.54) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL10251558 0.75 MAPT (0.45) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL11628324 0.75 MAPT (0.37) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL3859628 0.75 ALDH1A1 (0.50) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL18527857 0.75 ALDH1A1 (0.50) KMT2AMAPTMEN1RAB9ASMN1; SMN2

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-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-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 (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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS KMT2A 3259/4885MAPT 4674/4885MEN1 4416/4885

“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.