SCHEMBL2698532

SCHEMBL2698532

COC(=O)c1ccc(C2(c3nc4c(s3)CCCC4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 5/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.43
LMNA P02545 8/20 0.42
THRB P10828 2/20 0.42
TP53 P04637 5/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MITF O75030 1/20 0.42
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GFER P55789 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2700210 0.85 RAB9A (0.54) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3352336 0.84 HDAC1 (0.45) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2699924 0.78 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL9910037 0.75 RAB9A (0.41) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL16920416 0.74 CYP3A4 (0.37) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2700139 0.72 ALDH1A1 (0.44) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2533736 0.72 LMNA (0.40) MAPTSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL31522049 0.72 TSHR (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2499153 0.71 PTGS1 (0.41) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL2701476 0.71 KDM4E (0.43) ALDH1A1KDM4ETDP1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 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-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-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 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 (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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 MAPT 1634/4885SMN1; SMN2 3414/4885RAB9A 2514/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 MAPT 1634/4885SMN1; SMN2 3414/4885RAB9A 2514/4885

“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.