SCHEMBL7687475

SCHEMBL7687475

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 8/20 0.48
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.43
PDE5A O76074 4/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ABCG2 Q9UNQ0 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
SCHEMBL7681285 0.91 MEN1 (0.52) PIN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7687306 0.91 SMN1; SMN2 (0.49) PIN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7685816 0.89 LMNA (0.49) PIN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7683793 0.87 PIN1 (0.49) PIN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7682983 0.87 PIN1 (0.46) PIN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7683028 0.87 PIN1 (0.45) PIN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7687815 0.87 LMNA (0.49) PIN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7688166 0.86 PIN1 (0.48) PIN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7681050 0.86 PIN1 (0.44) PIN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7687828 0.86 PIN1 (0.48) PIN1LMNASMN1; SMN2MEN1KMT2A

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 3705/4885LMNA 1397/4885SMN1; SMN2 2359/4885

“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.