SCHEMBL4767472

SCHEMBL4767472

Cc1c([N+](=O)[O-])c(=O)n(Cc2ccc(F)cc2)c(=O)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
SOS1 Q07889 1/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PARG Q86W56 2/20 0.41
RGS4 P49798 1/20 0.41
RGS8 P57771 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4762278 0.85 DCTPP1 (0.49) POLBNPSR1KMT2AALDH1A1MAPT
SCHEMBL4771305 0.84 HTT (0.44) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4769402 0.83 POLB (0.43) POLBSOS1KMT2ATP53ALDH1A1
SCHEMBL4765718 0.81 PDE4D (0.46) POLBNPSR1SOS1KMT2ATP53
SCHEMBL4762645 0.80 PARG (0.45) POLBNPSR1KMT2AALDH1A1MAPT
SCHEMBL4762293 0.76 KMT2A (0.48) POLBSOS1KMT2AALDH1A1MEN1
SCHEMBL4767325 0.75 P2RX3 (0.54) KMT2ATP53ALDH1A1MEN1SMN1; SMN2
SCHEMBL4767319 0.75 ALDH1A1 (0.42) POLBNPSR1KMT2AALDH1A1MAPT
SCHEMBL4762495 0.75 MAPT (0.49) POLBNPSR1KMT2AALDH1A1MAPT
SCHEMBL4058512 0.74 ADORA2A (0.38) POLBNPSR1ALDH1A1MAPTHTT

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 POLB 1001/4885NPSR1 325/4885SOS1 4225/4885

“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.