SCHEMBL20364797

SCHEMBL20364797

CC(C)c1nc2c(s1)CN(CCF)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.44
RECQL P46063 1/20 0.44
GRM5 P41594 8/20 0.44
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 3/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR6 P46095 2/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL18375021 0.90 GRM5 (0.38) RAD52RECQLGRM5HRH3ALDH1A1
SCHEMBL20364230 0.89 HRH3 (0.40) RAD52RECQLGRM5HRH3MAPT
SCHEMBL13494247 0.84 RAD52 (0.63) RAD52RECQLGRM5HRH3ALDH1A1
SCHEMBL13494206 0.83 HRH3 (0.43) RAD52RECQLGRM5HRH3ALDH1A1
SCHEMBL1106412 0.79 GRM5 (0.48) RAD52RECQLGRM5ALDH1A1GAA
SCHEMBL22966519 0.78 RAD52 (0.43) RAD52RECQLGRM5ALDH1A1POLB
SCHEMBL798469 0.77 KDM4E (0.42) RAD52RECQLGRM5ALDH1A1GAA
SCHEMBL22966517 0.77 RAD52 (0.45) RAD52RECQLGRM5ALDH1A1POLB
SCHEMBL20364795 0.76 RAD52 (0.49) RAD52RECQLGRM5HRH3ALDH1A1
SCHEMBL22966538 0.75 RAD52 (0.40) RAD52RECQLGRM5HRH3ALDH1A1

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-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2019-09-24 US disclosed
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 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 (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-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 RAD52 2122/4885RECQL 3146/4885GRM5 182/4885
US-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase HDAC2, HDAC1, HDAC5 RAD52 2122/4885RECQL 3146/4885GRM5 182/4885

“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.