SCHEMBL3611034

SCHEMBL3611034

CC(C)N1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4NC(=O)O)cc3)c(F)c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.85
KCNH2 Q12809 4/20 0.72
MCHR1 Q99705 7/20 0.51
HTR2C P28335 5/20 0.51

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
SCHEMBL3605130 0.92 HDAC1 (1.00) HDAC1KCNH2MCHR1HTR2C
SCHEMBL3618560 0.91 HDAC1 (0.85) HDAC1KCNH2MCHR1HTR2C
SCHEMBL3603039 0.90 HDAC1 (0.84) HDAC1KCNH2MCHR1HTR2C
SCHEMBL13439106 0.89 HDAC1 (0.77) HDAC1KCNH2MCHR1HTR2C
SCHEMBL5112934 0.89 HDAC1 (0.84) HDAC1KCNH2MCHR1HTR2C
SCHEMBL4898722 0.86 HDAC1 (1.00) HDAC1KCNH2MCHR1HTR2C
SCHEMBL5802650 0.85 HDAC1 (0.73) HDAC1KCNH2MCHR1HTR2C
SCHEMBL3607895 0.83 HDAC1 (1.00) HDAC1KCNH2
SCHEMBL3617434 0.83 HDAC1 (1.00) HDAC1KCNH2MCHR1HTR2C
SCHEMBL3617078 0.81 HDAC1 (1.00) HDAC1KCNH2MCHR1HTR2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-03-25 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 (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-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER HDAC1, HDAC2, HDAC3 HDAC1 1/4885KCNH2 2678/4885MCHR1 4496/4885

“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.