SCHEMBL1772155

SCHEMBL1772155

Brc1ccc(CN2CCCc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.65
HDAC6 Q9UBN7 4/20 0.65
HDAC3 O15379 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC8 Q9BY41 2/20 0.61
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
AVPR2 P30518 1/20 0.49
AVPR1A P37288 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48

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
SCHEMBL29483472 1.00 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12679023 0.92 HDAC1 (0.69) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL29571652 0.90 ALDH1A1 (0.58) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL15447287 0.90 ALDH1A1 (0.58) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12679041 0.87 HDAC1 (0.64) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL1461825 0.87 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL29483474 0.87 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL29483480 0.86 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL4357989 0.86 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL11784819 0.84 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812060-B Arylation method of tetrahydroquinoline 绍兴文理学院 2022-04-29 CN disclosed
CN-112812060-A Arylation method of tetrahydroquinoline 绍兴文理学院 2021-05-18 CN disclosed
CN-102066337-A 5-hydroxypyrimidine-4-carboxamide compounds DAIICHI SANKYO CO LTD 2011-05-18 CN disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 HDAC1 570/4885HDAC6 1531/4885HDAC3 564/4885

“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.