SCHEMBL7688232

SCHEMBL7688232

O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCCCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.56
OPRK1 P41145 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.50
APOBEC3A P31941 1/20 0.50
RAB9A P51151 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
GAA P10253 1/20 0.47
RHOA P61586 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
APP P05067 1/20 0.45
BCHE P06276 1/20 0.45
NPBWR1 P48145 1/20 0.45

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
SCHEMBL22911877 0.88 ALDH1A1 (0.49) ACHEOPRK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7254549 0.79 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL7681187 0.76 MEN1 (0.57) ACHEKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL17376294 0.76 MAPK1 (0.57) MAPTMAPK1
SCHEMBL29532414 0.76 KMT2A (0.67) ACHEOPRK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2263219 0.76 KMT2A (0.67) ACHEOPRK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7685903 0.74 KMT2A (0.63) ACHEOPRK1KMT2AALDH1A1HTT
SCHEMBL27961421 0.74 KMT2A (0.63) ACHEOPRK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11154554 0.74 KMT2A (0.63) ACHEOPRK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6505699 0.74 KMT2A (0.63) ACHEOPRK1KMT2AALDH1A1SMN1; SMN2

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 ACHE 3372/4885OPRK1 445/4885KMT2A 948/4885

“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.