SCHEMBL4099366

SCHEMBL4099366

COC(=O)NCCc1cccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTPN1 P18031 2/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
PLK1 P53350 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
CYP2C19 P33261 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL4101146 0.90 PTPN1 (0.46) TDP1L3MBTL1PTPN1MTNR1AMTNR1B
SCHEMBL26977894 0.80 NQO2 (0.52) TDP1PTPN1TSHRMEN1KMT2A
SCHEMBL11872916 0.79 TDP1 (0.59) TDP1L3MBTL1TSHRMEN1KMT2A
SCHEMBL17336305 0.77 TDP1 (0.65) TDP1L3MBTL1TSHRMEN1KMT2A
SCHEMBL4962973 0.77 GPR35 (0.45) L3MBTL1PTPN1MTNR1AMTNR1BMEN1
SCHEMBL27849932 0.77 L3MBTL1 (0.56) TDP1L3MBTL1TSHRMEN1KMT2A
SCHEMBL11338808 0.76 TDP1 (0.55) TDP1L3MBTL1TSHRRAB9APLK1
SCHEMBL27878487 0.76 L3MBTL1 (0.55) TDP1L3MBTL1TSHRKMT2AMAPT
SCHEMBL3634633 0.76 L3MBTL1 (0.52) TDP1L3MBTL1PTPN1TSHRMEN1
SCHEMBL16737093 0.76 BID (0.61) TDP1L3MBTL1MAPTPLK1PLK3

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-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS TDP1 269/4885L3MBTL1 4365/4885PTPN1 3573/4885

“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.