SCHEMBL7968455

SCHEMBL7968455

C=CCNc1nc(NC/C=C/c2ccccc2)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 7/20 0.48
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
DHFR P00374 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
PDE5A O76074 4/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
SUMO3 P55854 1/20 0.42
SUMO2 P61956 1/20 0.42
SUMO1 P63165 1/20 0.42
HTT P42858 1/20 0.41
EGFR P00533 1/20 0.41

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
Hydrochloric Acid SCHEMBL7685769 0.99 PIN1 (0.48) PIN1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7681285 0.89 MEN1 (0.52) PIN1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7688166 0.86 PIN1 (0.48) PIN1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7688168 0.86 PIN1 (0.48) PIN1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7678933 0.85 PIN1 (0.64) PIN1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7685310 0.84 OPRK1 (0.53) PIN1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7679180 0.84 PIN1 (0.63) PIN1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7681414 0.83 PIN1 (0.49) PIN1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7685816 0.83 LMNA (0.49) PIN1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7687815 0.83 LMNA (0.49) PIN1ALDH1A1POLBSMN1; SMN2HPGD

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-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME FUJIREBIO INC. (FUJIREBIO KABUSHIKI KAISHA) (JP) 2001-07-05 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-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME CYP11B2, CYP11B1, OAT PIN1 3705/4885ALDH1A1 1631/4885POLB 223/4885

“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.