SCHEMBL7681189

SCHEMBL7681189

C=CCNc1nc(Cl)nc2cccc([N+](=O)[O-])c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
ATM Q13315 1/20 0.42
EGFR P00533 1/20 0.42
KCNH2 Q12809 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
MAOA P21397 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADORA2A P29274 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
PDE4D Q08499 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
SCHEMBL7688018 0.81 KMT2A (0.45) KMT2AMEN1ATMALDH1A1L3MBTL1
SCHEMBL2946229 0.77 CHRM2 (0.65) KMT2AMEN1EGFRKCNH2CHRM2
SCHEMBL26616688 0.75 ALDH1A1 (0.44) KMT2AMEN1ATMEGFRKCNH2
SCHEMBL2059044 0.75 L3MBTL1 (0.58) KMT2AMEN1ATMALDH1A1L3MBTL1
SCHEMBL7678891 0.74 KMT2A (0.53) KMT2AMEN1EGFRMAPTSMN1; SMN2
SCHEMBL1431715 0.73 MAPT (0.62) KMT2AMEN1ATMALDH1A1L3MBTL1
SCHEMBL11261545 0.72 HCAR3 (0.49) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL8600198 0.72 MAPT (0.58) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL26616705 0.69 PIN1 (0.47) KCNH2CHRM2CHRM1DRD2ADRA2B
SCHEMBL1344661 0.68 HCAR3 (0.58) KMT2AMEN1ALDH1A1L3MBTL1MAPT

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 KMT2A 948/4885MEN1 2963/4885ATM 1229/4885

“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.