SCHEMBL4579645

SCHEMBL4579645

C=Cc1cc(-n2c3c(n(C)c2=O)C(=O)CC(C)(C)C3)ccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.44
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MDM2 Q00987 1/20 0.34
CYP11B1 P15538 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL4578462 0.84 CYP11B2 (0.46) CYP11B2ALDH1A1MEN1KMT2APOLB
SCHEMBL4580028 0.80 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL4581097 0.80 CYP11B2 (0.41) CYP11B2ALDH1A1MEN1KMT2APOLB
SCHEMBL4582471 0.77 CYP11B2 (0.42) CYP11B2MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL4580721 0.77 HSP90AA1 (0.49) CYP11B2HSP90AA1HSP90AB1
SCHEMBL4581091 0.75 HSP90AB1 (0.49) CYP11B2HSP90AA1HSP90AB1
SCHEMBL4580393 0.75 HSP90AA1 (0.46) CYP11B2HSP90AA1HSP90AB1
SCHEMBL4580545 0.69 CYP11B2 (0.42) CYP11B2ALDH1A1POLBKDM4E
SCHEMBL4580741 0.69 HSP90AA1 (0.58) CYP11B2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4578947 0.68 HSP90AA1 (0.44) HSP90AA1HSP90AB1

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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 CYP11B2 710/4885ALDH1A1 580/4885MEN1 3488/4885

“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.