SCHEMBL5147029

SCHEMBL5147029

CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(OC(=O)CCN)CC4)c3)c2C1

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.89
HSP90AB1 P08238 17/20 0.89
HSP90B1 P14625 4/20 0.76
TRAP1 Q12931 4/20 0.76

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
SCHEMBL5148457 1.00 HSP90AA1 (0.89) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL5148467 0.97 HSP90AA1 (0.90) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL5148470 0.97 HSP90AA1 (0.90) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL5147018 0.95 HSP90AA1 (0.85) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL5147021 0.95 HSP90AA1 (0.85) HSP90AA1HSP90AB1HSP90B1TRAP1
Snx 5422 SCHEMBL1220791 0.94 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
Snx 5422 SCHEMBL1220790 0.94 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
Snx 5422 SCHEMBL15604989 0.94 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL23133268 0.93 HSP90AA1 (0.89) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL12719897 0.93 HSP90AA1 (0.89) HSP90AA1HSP90AB1HSP90B1TRAP1

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-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2007-09-06 US claimed
US-20160143884-A1 USE OF TETRAHYDROINDAZOLYLBENZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-05-26 US disclosed
US-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2007-09-06 US 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 (2 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-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives HRH4, P2RX4, CDK4 HSP90AA1 3248/4885HSP90AB1 2805/4885HSP90B1 3218/4885
US-20160143884-A1 USE OF TETRAHYDROINDAZOLYLBENZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) HSP90AB1, HSP90B1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 1/4885HSP90B1 2/4885

“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.