SCHEMBL7685891

SCHEMBL7685891

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
OPRK1 P41145 1/20 0.49
PIN1 Q13526 7/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CDK1 P06493 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE5A O76074 4/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
MEN1 O00255 3/20 0.40

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
SCHEMBL7687837 0.88 PIN1 (0.52) PIN1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL7678891 0.85 KMT2A (0.53) KMT2AOPRK1PIN1SMN1; SMN2PDE5A
SCHEMBL7683590 0.84 PIN1 (0.48) KMT2APIN1ALDH1A1POLBHPGD
SCHEMBL7684157 0.84 PIN1 (0.48) KMT2APIN1ALDH1A1POLBHPGD
SCHEMBL7694158 0.83 KMT2A (0.55) KMT2AOPRK1PIN1ALDH1A1PDE5A
SCHEMBL7681038 0.82 HPGD (0.54) PIN1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL7681181 0.81 KMT2A (0.53) KMT2AOPRK1PIN1ALDH1A1PDE5A
SCHEMBL7685179 0.80 KMT2A (0.52) KMT2AOPRK1PIN1ALDH1A1POLB
SCHEMBL7685310 0.80 OPRK1 (0.53) KMT2AOPRK1PIN1ALDH1A1POLB
SCHEMBL7685862 0.79 RIPK1 (0.55) KMT2AOPRK1PIN1ALDH1A1HPGD

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 KMT2A 948/4885OPRK1 445/4885PIN1 3705/4885

“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.