SCHEMBL7682983

SCHEMBL7682983

C=CCNc1nc(NC(C)(C)C)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 8/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
PDE5A O76074 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABCG2 Q9UNQ0 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
Hydrochloric Acid SCHEMBL7687986 0.90 MEN1 (0.48) PIN1MEN1KMT2ALMNAMAPT
SCHEMBL7681285 0.88 MEN1 (0.52) PIN1MEN1KMT2ALMNAMAPT
SCHEMBL7687828 0.88 PIN1 (0.48) PIN1MEN1KMT2ALMNAMAPT
SCHEMBL7687475 0.87 PIN1 (0.48) PIN1MEN1KMT2ALMNAMAPT
SCHEMBL7685816 0.86 LMNA (0.49) PIN1MEN1KMT2ALMNAMAPT
SCHEMBL7685193 0.86 PIN1 (0.48) PIN1MEN1KMT2ALMNAMAPT
SCHEMBL7683028 0.84 PIN1 (0.45) PIN1MEN1KMT2ALMNAMAPT
SCHEMBL7683793 0.84 PIN1 (0.49) PIN1MEN1KMT2ALMNAMAPT
SCHEMBL7687815 0.84 LMNA (0.49) PIN1MEN1KMT2ALMNAMAPT
SCHEMBL7682061 0.83 PIN1 (0.52) PIN1MEN1KMT2ALMNAMAPT

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-6339089-B2 ANTIHYPOXIC AGENTS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE; VASOCONSTRICTION; REDUCES BLOOD PARTIAL PRESSURE OF CARBON DIOXIDE; RESPIRATORY DISORDERS; UNDER OXYGEN INHALATION TREATMENT FUJIREBIO INC. (JP) 2002-01-15 US disclosed
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
EP-0899263-A2 Fused pyrimidine derivatives and medicaments thereof for a blood oxygen partial pressure amelioration Fujirebio Inc. (JP) 1999-03-03 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-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 3705/4885MEN1 2963/4885KMT2A 948/4885

“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.