SCHEMBL4579571

SCHEMBL4579571

N#Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1NC1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 5/20 0.44
PRKCQ Q04759 4/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HCAR3 P49019 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
PRKCD Q05655 3/20 0.38
VCAM1 P19320 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4580882 0.82 HSP90AA1 (0.46) PRKCQHSP90AA1PRKCD
SCHEMBL14252710 0.81 PRKCQ (0.43) KMT2AMEN1L3MBTL1PRKCQHSP90AA1
SCHEMBL4580711 0.80 HSP90AA1 (0.45) PRKCQHSP90AA1PRKCD
SCHEMBL4581754 0.79 PRKCQ (0.43) PRKCQHSP90AA1PRKCD
SCHEMBL4581208 0.79 HSP90AA1 (0.55) KMT2AMAPTHSP90AA1
SCHEMBL4580648 0.79 PRKCQ (0.43) PRKCQHSP90AA1PRKCD
SCHEMBL4582583 0.78 PRKCQ (0.44) PRKCQHSP90AA1PRKCD
SCHEMBL4579980 0.75 KDM4E (0.48) MAPTPRKCQLMNAALDH1A1SMN1; SMN2
SCHEMBL4580296 0.74 PIM1 (0.44) PRKCQHSP90AA1PRKCD
SCHEMBL4579724 0.74 PGR (0.50) KMT2AMEN1L3MBTL1MAPTPRKCQ

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
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 KMT2A 2720/4885MEN1 3405/4885L3MBTL1 3469/4885

“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.