SCHEMBL7682129

SCHEMBL7682129

C=CCNc1nc(NCCCCCCC)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
TRIM58 Q8NG06 1/20 0.50
PIN1 Q13526 6/20 0.49
ACHE P22303 1/20 0.46
RIPK1 Q13546 4/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
LMNA P02545 1/20 0.45
F2RL1 P55085 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7687388 1.00 SMN1; SMN2 (0.52) SMN1; SMN2HPGDTRIM58PIN1ACHE
Hydrochloric Acid SCHEMBL7681349 0.98 SMN1; SMN2 (0.52) SMN1; SMN2HPGDTRIM58PIN1ACHE
SCHEMBL7681167 0.96 PIN1 (0.51) SMN1; SMN2HPGDTRIM58PIN1ACHE
Hydrochloric Acid SCHEMBL7681291 0.95 PIN1 (0.50) SMN1; SMN2HPGDTRIM58PIN1ACHE
Hydrochloric Acid SCHEMBL7683968 0.95 SMN1; SMN2 (0.53) SMN1; SMN2HPGDTRIM58PIN1ACHE
Hydrochloric Acid SCHEMBL7678920 0.94 PIN1 (0.51) SMN1; SMN2HPGDTRIM58PIN1ACHE
SCHEMBL7678880 0.92 PIN1 (0.52) SMN1; SMN2HPGDTRIM58PIN1ACHE
SCHEMBL7683793 0.92 PIN1 (0.49) SMN1; SMN2HPGDPIN1ACHERIPK1
SCHEMBL7681403 0.87 PIN1 (0.52) SMN1; SMN2HPGDPIN1ACHERIPK1
SCHEMBL7685816 0.87 LMNA (0.49) SMN1; SMN2HPGDPIN1LMNAALDH1A1

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 SMN1; SMN2 2359/4885HPGD 419/4885TRIM58 2400/4885

“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.