SCHEMBL3354933

SCHEMBL3354933

CCOC(=O)N1CCc2nc(C3(c4ccc(C(=O)NO)cc4)CC3)sc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.42
GCK P35557 1/20 0.41
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
TP53 P04637 4/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC3 O15379 2/20 0.39
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL2699924 0.90 MAPT (0.47) GRAMD1AGCKALDH1A1HSD17B10TP53
SCHEMBL2701238 0.90 NPC1 (0.41) GRAMD1AGCKALDH1A1HSD17B10TP53
SCHEMBL1920749 0.88 GRAMD1A (0.55) GRAMD1AGCKMAPTHDAC1HDAC6
SCHEMBL196803 0.86 HDAC2 (0.44) GRAMD1AGCKALDH1A1HSD17B10TP53
SCHEMBL197368 0.84 MAPT (0.44) GRAMD1AGCKALDH1A1HSD17B10TP53
SCHEMBL2699931 0.77 GRAMD1A (0.51) GRAMD1AGCKMAPTKDM4E
SCHEMBL1920753 0.77 GRAMD1A (0.57) GRAMD1AGCKMAPTHDAC1HDAC6
SCHEMBL3352336 0.77 HDAC1 (0.45) ALDH1A1HSD17B10TP53LMNASMN1; SMN2
SCHEMBL1919143 0.75 HDAC2 (0.44) GRAMD1AGCKALDH1A1HSD17B10TP53
SCHEMBL198643 0.75 GRAMD1A (0.53) GRAMD1AGCKMAPTHDAC1KDM4E

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 GRAMD1A 4239/4885GCK 567/4885ALDH1A1 957/4885

“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.