SCHEMBL19230846

SCHEMBL19230846

Nc1ccc(-c2ccncc2)cc1NC(=O)c1cc2ccc(N3CCNCC3)cc2cn1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.85
HDAC2 Q92769 13/20 0.72
HDAC3 O15379 11/20 0.72
HDAC1 Q13547 5/20 0.72
CYP1A2 P05177 2/20 0.63
CYP2C18 P33260 2/20 0.63
CYP2C19 P33261 2/20 0.63

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
SCHEMBL19230849 0.92 KCNH2 (1.00) KCNH2HDAC2HDAC3HDAC1
SCHEMBL19230850 0.91 KCNH2 (0.85) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181658 0.89 HDAC2 (0.82) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL19230845 0.86 KCNH2 (0.77) KCNH2HDAC2HDAC3HDAC1
SCHEMBL19230847 0.84 KCNH2 (0.82) KCNH2HDAC2HDAC3HDAC1
SCHEMBL15922983 0.84 HDAC3 (1.00) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181490 0.83 KCNH2 (0.77) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL20181513 0.83 HDAC2 (1.00) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL20181478 0.82 HDAC2 (0.67) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL17572848 0.80 KCNH2 (0.79) KCNH2HDAC2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240535-A1 HDAC1/2 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE AND/OR COGNITIVE DISORDERS REGENACY PHARMACEUTICALS, LLC 2017-08-24 US disclosed
WO-2017136451-A1 HDAC1/2 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE AND/OR COGNITIVE DISORDERS REGENACY PHARMACEUTICALS, LLC (US) 2017-08-10 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-20170240535-A1 HDAC1/2 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE AND/OR COGNITIVE DISORDERS HDAC1, HDAC2, HDAC11 KCNH2 4701/4885HDAC2 2/4885HDAC3 6/4885

“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.