SCHEMBL14468282

SCHEMBL14468282

COC(=O)CCC1Oc2ccc([N+](=O)[O-])cc2O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AKR1B1 P15121 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL12862879 0.88 HTT (0.45) KMT2AMEN1MAPTHTTPKM
SCHEMBL12862887 0.79 PNMT (0.45) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1168454 0.78 HTT (0.46) KMT2AMEN1MAPTHTTPKM
SCHEMBL1167587 0.77 CHRNB4 (0.42) KMT2AMEN1MAPTHTTPKM
SCHEMBL31444563 0.77 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL14468050 0.77 ALDH1A1 (0.43) KMT2AMAPTHTTALDH1A1POLB
SCHEMBL16104865 0.76 ADRA2A (0.46) KMT2AMEN1MAPTHTTPKM
SCHEMBL12862897 0.76 LOXL2 (0.41) KMT2AMEN1ALDH1A1AKR1B1
SCHEMBL1168091 0.75 ADRA2A (0.42) ALDH1A1SMN1; SMN2AKR1B1MAPK1
SCHEMBL14468102 0.75 CHRNB4 (0.39) KMT2AMEN1MAPTHTTALDH1A1

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-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-07-19 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-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof DPYD, PNPO, TYMP KMT2A 3836/4885MEN1 3901/4885MAPT 2111/4885

“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.