SCHEMBL7685780

SCHEMBL7685780

C=CCNc1nc(NCCCCCCC)c2scc(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.41
SLC29A1 Q99808 2/20 0.39
DNM2 P50570 7/20 0.36
TRIM58 Q8NG06 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 2/20 0.33
KCNH3 Q9ULD8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7688049 1.00 PRKCI (0.41) PRKCISLC29A1DNM2TRIM58GAA
SCHEMBL7685868 1.00 PRKCI (0.41) PRKCISLC29A1DNM2TRIM58GAA
SCHEMBL7678778 0.99 PRKCI (0.41) PRKCISLC29A1DNM2TRIM58GAA
SCHEMBL7688013 0.95 SLC29A1 (0.43) PRKCISLC29A1GAAMAPTKMT2A
SCHEMBL7687480 0.86 PRKCI (0.42) PRKCIGAAALDH1A1MAPTNPC1
SCHEMBL7681312 0.85 PRKCI (0.41) PRKCISLC29A1GAAALDH1A1MAPT
SCHEMBL7681398 0.85 PRKCI (0.40) PRKCIGAAALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL7682038 0.85 EPHX1 (0.39) ALDH1A1
SCHEMBL22448322 0.82 PRKCI (0.43) PRKCISLC29A1DNM2ALDH1A1MAPT
SCHEMBL7686103 0.81 LCK (0.36) SLC29A1ALDH1A1MAPTNPC1RAB9A

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 PRKCI 2876/4885SLC29A1 253/4885DNM2 3428/4885

“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.