SCHEMBL7687755

SCHEMBL7687755

C=CCNc1nc(NC(=O)NC2CCCCC2)c2scc(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.41
CHRM4 P08173 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE7A Q13946 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
EPHX2 P34913 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
Hydrochloric Acid SCHEMBL7677129 0.83 PDE4B (0.45) ADORA3ADORA2APDE4BPDE7ALMNA
SCHEMBL7681529 0.83 GAA (0.40) NPC1RAB9AADORA3ADORA2AKMT2A
SCHEMBL7681225 0.81 KDM4E (0.35) RAB9AKMT2AALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL7685761 0.80 MAPT (0.34) RAB9AKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL7685320 0.79 ADORA2A (0.40) NPC1RAB9AADORA3ADORA2AMEN1
SCHEMBL7685374 0.79 PRKCI (0.43) ADORA3ADORA2APDE4BPDE7AMAPT
SCHEMBL7685775 0.78 KDM4E (0.36) RAB9AADORA3KMT2AALDH1A1SMN1; SMN2
SCHEMBL7686103 0.78 LCK (0.36) EPHX1NPC1RAB9AKMT2AALDH1A1
SCHEMBL7687480 0.77 PRKCI (0.42) NPC1RAB9ALMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL7682038 0.76 EPHX1 (0.39) EPHX1ALDH1A1HTTEPHX2

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 EPHX1 3652/4885CHRM4 2857/4885NPC1 929/4885

“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.