SCHEMBL7687770

SCHEMBL7687770

C=CCNc1nc(NCC=C)c2cc(Cl)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUMO3 P55854 1/20 0.49
SUMO2 P61956 1/20 0.49
SUMO1 P63165 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HTR3A P46098 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
FLT3 P36888 5/20 0.41
ATM Q13315 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
SCHEMBL7683612 0.88 ALDH1A1 (0.47) SUMO3SUMO2SUMO1ALDH1A1KDM4E
SCHEMBL7679071 0.82 SUMO3 (0.49) SUMO3SUMO2SUMO1ALDH1A1KDM4E
SCHEMBL7688033 0.81 KDM4E (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7687738 0.79 SUMO3 (0.46) SUMO3SUMO2SUMO1ALDH1A1KDM4E
SCHEMBL1613508 0.78 MEN1 (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL9287754 0.78 SUMO3 (0.72) SUMO3SUMO2SUMO1ALDH1A1KDM4E
SCHEMBL7681285 0.77 MEN1 (0.52) SUMO3SUMO2SUMO1ALDH1A1HPGD
SCHEMBL2590769 0.77 RAD52 (0.68) ALDH1A1KDM4ELMNAMAPTHTR3A
SCHEMBL7679214 0.72 ALDH1A1 (0.42) SUMO3SUMO2SUMO1ALDH1A1KDM4E
SCHEMBL7681414 0.72 PIN1 (0.49) SUMO3SUMO2SUMO1ALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11124371-A None JP disclosed
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
JP-H11124371-A NEW PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND MEDICINE CONTAINING THE SAME AND USED FOR IMPROVING PARTIAL OXYGEN PRESSURE IN BLOOD AND ITS PRODUCTION FUJIREBIO INC 1999-05-11 JP 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 SUMO3 4465/4885SUMO2 4430/4885SUMO1 3876/4885

“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.