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SCHEMBL197242

SCHEMBL197242

COC(=O)c1ccc(C2(c3ncc(-c4ccc(C5CC5)nc4)s3)CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.39
▸ GABRA1 P14867 2/20 0.37
▸ F2RL3 Q96RI0 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL196931 0.81 HDAC1 (0.43) IDO1PIK3CA
SCHEMBL197892 0.78 ALDH1A1 (0.41) F2RL3ALDH1A1KDM4EMEN1LMNA
SCHEMBL196627 0.71 F2RL3 (0.42) F2RL3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2533736 0.70 LMNA (0.40) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL17645765 0.70 MAPK1 (0.57) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL25953854 0.70 MAPK1 (0.57) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL2700254 0.69 SIRT5 (0.44) F2RL3ALDH1A1KDM4EMEN1LMNA
SCHEMBL2699870 0.69 MAPK1 (0.38) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL25933890 0.69 F2RL3 (0.45) F2RL3ALDH1A1KDM4EMEN1LMNA
SCHEMBL199139 0.68 CYP19A1 (0.44) F2RL3ALDH1A1KDM4EMEN1LMNA

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 IDO1 1964/4885GABRA1 3304/4885F2RL3 2800/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 IDO1 1964/4885GABRA1 3304/4885F2RL3 2800/4885

“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.