SCHEMBL7679180

SCHEMBL7679180

C=CCNc1nc(NCc2ccccc2)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.63
PDE5A O76074 5/20 0.58
EGFR P00533 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.53
ACHE P22303 2/20 0.52
RAD52 P43351 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
UBE2N P61088 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RCE1 Q9Y256 1/20 0.50
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APP P05067 1/20 0.46
BCHE P06276 1/20 0.46

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
SCHEMBL7678933 0.97 PIN1 (0.64) PIN1PDE5AEGFRKMT2AMEN1
SCHEMBL7681285 0.90 MEN1 (0.52) PIN1PDE5AKMT2AMEN1MAPT
SCHEMBL7687815 0.85 LMNA (0.49) PIN1PDE5AKMT2AMEN1MAPT
SCHEMBL7968455 0.84 PIN1 (0.48) PIN1PDE5AEGFRKMT2AMEN1
SCHEMBL7687306 0.84 SMN1; SMN2 (0.49) PIN1EGFRKMT2AMEN1MAPT
SCHEMBL7681403 0.83 PIN1 (0.52) PIN1EGFRKMT2AMEN1MAPT
SCHEMBL7688411 0.83 SUMO3 (0.68) PIN1PDE5AEGFRKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7685769 0.83 PIN1 (0.48) PIN1PDE5AEGFRKMT2AMEN1
SCHEMBL7685816 0.83 LMNA (0.49) PIN1PDE5AKMT2AMEN1MAPT
SCHEMBL7685193 0.83 PIN1 (0.48) PIN1PDE5AKMT2AMEN1MAPT

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 3705/4885PDE5A 1487/4885EGFR 4566/4885

“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.