SCHEMBL10144274

SCHEMBL10144274

C#C/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.84
MAPT P10636 2/20 0.84
HPGD P15428 2/20 0.84
RECQL P46063 2/20 0.84
MEN1 O00255 2/20 0.84
KMT2A Q03164 2/20 0.84
FTO Q9C0B1 5/20 0.60
EGFR P00533 3/20 0.59
LMNA P02545 2/20 0.58
CYP2C9 P11712 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.58
CYP3A4 P08684 1/20 0.58
BLM P54132 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
XDH P47989 1/20 0.55
COMT P21964 3/20 0.55
GPR35 Q9HC97 2/20 0.55

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
SCHEMBL10144550 0.91 ALDH1A1 (1.00) ALDH1A1MAPTHPGDRECQLMEN1
SCHEMBL31618898 0.91 ALDH1A1 (1.00) ALDH1A1MAPTHPGDRECQLMEN1
SCHEMBL11202635 0.84 ALDH1A1 (0.85) ALDH1A1MAPTHPGDRECQLMEN1
SCHEMBL10144273 0.83 MAPT (0.84) ALDH1A1MAPTHPGDRECQLMEN1
SCHEMBL10144263 0.82 EGFR (0.78) ALDH1A1MAPTHPGDRECQLMEN1
SCHEMBL8848276 0.78 FTO (0.74) ALDH1A1MAPTHPGDRECQLMEN1
SCHEMBL8848272 0.78 FTO (0.74) ALDH1A1MAPTHPGDRECQLMEN1
SCHEMBL8848281 0.78 FTO (0.74) ALDH1A1MAPTHPGDRECQLMEN1
SCHEMBL20100865 0.78 FTO (0.74) ALDH1A1MAPTHPGDRECQLMEN1
SCHEMBL15920344 0.77 FTO (0.73) ALDH1A1MAPTHPGDRECQLMEN1

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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 ALDH1A1 1572/4885MAPT 3699/4885HPGD 1017/4885

“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.