SCHEMBL7685903

SCHEMBL7685903

Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
OPRK1 P41145 1/20 0.63
HTT P42858 1/20 0.55
ACHE P22303 2/20 0.53
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
APEX1 P27695 1/20 0.45
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 1/20 0.43
PARP1 P09874 1/20 0.43
PDK1 Q15118 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42

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
SCHEMBL27856614 0.84 ALDH1A1 (0.51) KMT2AOPRK1HTTACHEALDH1A1
SCHEMBL3974935 0.84 ACHE (0.52) ACHEALDH1A1TDP1CYP3A4TSHR
SCHEMBL29532414 0.84 KMT2A (0.67) KMT2AOPRK1HTTACHEALDH1A1
SCHEMBL2263219 0.84 KMT2A (0.67) KMT2AOPRK1HTTACHEALDH1A1
SCHEMBL11154554 0.81 KMT2A (0.63) KMT2AOPRK1HTTACHEALDH1A1
SCHEMBL28141574 0.81 ACHE (0.50) KMT2AOPRK1ACHEALDH1A1TDP1
SCHEMBL27961421 0.81 KMT2A (0.63) KMT2AOPRK1ACHEALDH1A1APEX1
SCHEMBL6505699 0.81 KMT2A (0.63) KMT2AOPRK1HTTACHEALDH1A1
SCHEMBL28133331 0.79 KMT2A (0.60) KMT2AOPRK1ACHEALDH1A1CYP3A4
SCHEMBL11706982 0.78 KMT2A (1.00) KMT2AOPRK1ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107278201-A Quinazoline derivatives for the treatment of HIV 吉利德科学公司 2017-10-20 CN disclosed
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 KMT2A 948/4885OPRK1 445/4885HTT 4733/4885

“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.