SCHEMBL2698658

SCHEMBL2698658

CC(C)N1CCc2nc(C(C)(C)C)sc2C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAD52 P43351 1/20 0.35
RECQL P46063 1/20 0.35
F10 P00742 9/20 0.33
CHKA P35790 1/20 0.33
OGA O60502 2/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GRM5 P41594 3/20 0.32
APEX1 P27695 1/20 0.31
GCK P35557 1/20 0.31

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
SCHEMBL22966673 0.86 OGA (0.36) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL22966582 0.84 RAD52 (0.34) KDM4EALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL742822 0.79 MEN1 (0.40) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL13494250 0.79 PDE10A (0.42) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL2697581 0.79 GRM5 (0.48) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL13501438 0.78 RAD52 (0.36) KDM4EALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL13151223 0.78 RAD52 (0.36) KDM4EALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL798469 0.78 KDM4E (0.42) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL17934004 0.78 RAD52 (0.58) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL19454154 0.78 KDM4E (0.39) KDM4EMEN1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 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 (3 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 KDM4E 181/4885MEN1 4082/4885ALDH1A1 957/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 KDM4E 181/4885MEN1 4082/4885ALDH1A1 957/4885
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP KDM4E 3615/4885MEN1 1462/4885ALDH1A1 658/4885

“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.