SCHEMBL4581208

SCHEMBL4581208

NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1NC1CCC(O)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.55
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HSP90AB1 P08238 2/20 0.43

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
SCHEMBL4580582 0.84 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL4581752 0.81 HSP90AA1 (0.60) HSP90AA1
SCHEMBL4579673 0.81 HSP90AA1 (0.56) HSP90AA1HSP90AB1
SCHEMBL4581741 0.80 HSP90AA1 (0.58) HSP90AA1
SCHEMBL4580326 0.80 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL4579571 0.79 KMT2A (0.45) HSP90AA1MAPTKMT2A
SCHEMBL4579921 0.78 HSP90AA1 (0.56) HSP90AA1MAPT
SCHEMBL7186417 0.76 MAPT (0.53) MAPTKMT2A
SCHEMBL7186411 0.76 MAPT (0.53) MAPTKMT2A
SCHEMBL4579386 0.75 HSP90AA1 (0.53) HSP90AA1MAPT

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 5 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
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 HSP90AA1 3426/4885MAPT 3882/4885KMT2A 2720/4885

“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.