SCHEMBL199367

SCHEMBL199367

O=C(O)c1ccc(C2(c3nc4c(s3)CNCC4)CCOCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
MITF O75030 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC2 Q92769 1/20 0.33
POLB P06746 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXRA P19793 2/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
MAPT P10636 1/20 0.30
PTGER4 P35408 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL198276 0.93 MITF (0.37) PDCD1CD274MITFGAARAB9A
SCHEMBL1919155 0.81 HDAC1 (0.40) HDAC2
SCHEMBL196814 0.79 GRM5 (0.46) RAB9APTGDR2F10
SCHEMBL2700210 0.77 RAB9A (0.54) MITFGAARAB9AKMT2ASMN1; SMN2
SCHEMBL9910038 0.74 HDAC2 (0.35) HDAC2PTGDR2
SCHEMBL199351 0.74 HDAC2 (0.47) HDAC2
SCHEMBL197816 0.72 POLB (0.39) GAARAB9AKMT2ASMN1; SMN2POLB
SCHEMBL197997 0.70 POLB (0.36) RAB9APOLBUSP2ALDH1A1TSHR
SCHEMBL197600 0.69 POLB (0.38) RAB9AKMT2AHDAC2POLBALDH1A1
SCHEMBL2701238 0.66 NPC1 (0.41) GAARAB9AKMT2APOLBALDH1A1

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 6 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-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
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 EP 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

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 PDCD1 2707/4885CD274 4262/4885MITF 411/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 PDCD1 2707/4885CD274 4262/4885MITF 411/4885

“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.