SCHEMBL7681529

SCHEMBL7681529

C=CCNC(=O)Nc1nc(NCC=C)nc2c(C)csc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PIK3CG P48736 1/20 0.36
NPSR1 Q6W5P4 4/20 0.36
RAB9A P51151 2/20 0.35
ATG4B Q9Y4P1 1/20 0.35
KMT2A Q03164 2/20 0.34
PRKCI P41743 3/20 0.34
RXFP1 Q9HBX9 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL7686103 0.89 LCK (0.36) MAPTALDH1A1HTTHSD17B10SMN1; SMN2
SCHEMBL7681225 0.88 KDM4E (0.35) GAAKDM4EMAPTHPGDALDH1A1
Hydrochloric Acid SCHEMBL7685761 0.87 MAPT (0.34) GAAKDM4EMAPTHPGDALDH1A1
Hydrochloric Acid SCHEMBL7682038 0.87 EPHX1 (0.39) ALDH1A1HTT
SCHEMBL7685775 0.85 KDM4E (0.36) GAAKDM4EMAPTHPGDALDH1A1
SCHEMBL7687480 0.84 PRKCI (0.42) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL7687755 0.83 EPHX1 (0.41) KDM4EMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL7678985 0.83 PRKCI (0.39) GAAKDM4EMAPTHPGDALDH1A1
SCHEMBL7681384 0.82 PI4KB (0.36) GAAKDM4EMAPTHPGDALDH1A1
SCHEMBL7685320 0.81 ADORA2A (0.40) KDM4EMAPTHPGDALDH1A1HTT

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 GAA 4180/4885KDM4E 2446/4885MAPT 3972/4885

“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.