SCHEMBL3497277

SCHEMBL3497277

O=[N+]([O-])c1cc(-c2ccc(Cl)cc2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HIF1A Q16665 1/20 0.56
VCAM1 P19320 2/20 0.53
MAPT P10636 7/20 0.48
TDP1 Q9NUW8 3/20 0.48
POLB P06746 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.42
MMP2 P08253 1/20 0.42
CA14 Q9ULX7 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
SCHEMBL11579276 0.90 ALDH1A1 (0.67) ALDH1A1HIF1AVCAM1MAPTTDP1
SCHEMBL2655681 0.87 TDP1 (0.56) ALDH1A1HIF1AVCAM1MAPTTDP1
SCHEMBL6314467 0.87 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1MAPTTDP1
SCHEMBL2650363 0.85 CRHBP (0.58) ALDH1A1HIF1AVCAM1MAPTTDP1
Sulfur Dioxide SCHEMBL21643667 0.85 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1MAPTTDP1
SCHEMBL6313481 0.85 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1MAPTTDP1
SCHEMBL306375 0.84 ALDH1A1 (0.64) ALDH1A1HIF1AVCAM1MAPTTDP1
SCHEMBL29580152 0.84 ALDH1A1 (0.64) ALDH1A1HIF1AVCAM1MAPTTDP1
SCHEMBL6314030 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AVCAM1MAPTTDP1
SCHEMBL14956676 0.82 VCAM1 (0.74) ALDH1A1HIF1AVCAM1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 ALDH1A1 3047/4885HIF1A 1046/4885VCAM1 2790/4885

“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.