SCHEMBL7686103

SCHEMBL7686103

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SLC29A1 Q99808 1/20 0.34
HTT P42858 3/20 0.34
MAPT P10636 3/20 0.34
ATM Q13315 1/20 0.34
EPHX2 P34913 1/20 0.34
MITF O75030 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34
KDR P35968 1/20 0.34
EPHX1 P07099 3/20 0.34

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 SCHEMBL7682038 0.95 EPHX1 (0.39) HDAC1HDAC2HTTEPHX2ALDH1A1
SCHEMBL7681529 0.89 GAA (0.40) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL7688013 0.85 SLC29A1 (0.43) SLC29A1MAPTKMT2AHSD17B10
SCHEMBL7681225 0.82 KDM4E (0.35) LCKRAB9ASMN1; SMN2HTTMAPT
SCHEMBL7678778 0.82 PRKCI (0.41) RAB9ANPC1SLC29A1MAPTKMT2A
Hydrochloric Acid SCHEMBL7685761 0.81 MAPT (0.34) LCKRAB9ASMN1; SMN2HTTMAPT
SCHEMBL7685780 0.81 PRKCI (0.41) RAB9ANPC1SLC29A1MAPTKMT2A
SCHEMBL7688049 0.81 PRKCI (0.41) RAB9ANPC1SLC29A1MAPTKMT2A
SCHEMBL7685868 0.81 PRKCI (0.41) RAB9ANPC1SLC29A1MAPTKMT2A
SCHEMBL7678985 0.80 PRKCI (0.39) RAB9ASMN1; SMN2HTTMAPTKMT2A

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 LCK 2292/4885RAB9A 4434/4885NPC1 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.