SCHEMBL23199149

SCHEMBL23199149

Cc1ccncc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2C9 P11712 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2E1 P05181 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C8 P10632 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2A6 P11509 3/20 0.35
CYP2B6 P20813 3/20 0.35
CYP2C19 P33261 3/20 0.35
BACE1 P56817 1/20 0.34
SOST Q9BQB4 1/20 0.33
NAMPT P43490 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRA5 P31644 2/20 0.32

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
SCHEMBL31474141 0.82 BACE1 (0.34) HDAC1HDAC8HDAC6HDAC5BACE1
SCHEMBL14659892 0.82 AOC1 (0.37) CYP11B1CYP11B2CYP2C9CYP1A2CYP3A4
SCHEMBL5471663 0.81 AOC1 (0.36) CYP2C9CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL29425358 0.79 LOXL2 (0.47) BACE1NAMPTGPR119
SCHEMBL15899306 0.79 BACE1 (0.34) BACE1
SCHEMBL12462737 0.77 HDAC1 (0.40) HDAC1HDAC8HDAC6HDAC5CYP11B1
SCHEMBL31132807 0.77 KDM4C (0.42) BACE1TDP1
SCHEMBL25192580 0.77 KDM4C (0.42) BACE1TDP1
SCHEMBL5146700 0.76 BACE1 (0.35) BACE1GPR119
SCHEMBL15899185 0.75 GPR119 (0.43) GPR119

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-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SUZHOU INSTITUTE OF MATERIA MEDICA (CN) 2022-01-06 US disclosed
US-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-04-08 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-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 HDAC1 3/4885HDAC8 7/4885HDAC6 22/4885
US-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 HDAC1 3/4885HDAC8 7/4885HDAC6 22/4885

“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.