SCHEMBL197399

SCHEMBL197399

COC(=O)c1ccc(C2(c3nc(-c4ccc(Cl)nc4)cs3)CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.43
KCNH2 Q12809 1/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
F2 P00734 1/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CG P48736 2/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL199200 0.88 KDM4E (0.41) KCNH2KMT2AKDM4EMEN1NPC1
SCHEMBL2700254 0.85 SIRT5 (0.44) F2RL3KCNH2MAPTKMT2AKDM4E
SCHEMBL199139 0.84 CYP19A1 (0.44) F2RL3MAPTKMT2AKDM4EMEN1
SCHEMBL2700421 0.81 CHEK1 (0.42) F2RL3MAPTKMT2AKDM4EMEN1
SCHEMBL25933890 0.80 F2RL3 (0.45) F2RL3MAPTKMT2AKDM4EMEN1
SCHEMBL2700450 0.77 F2RL3 (0.46) F2RL3MAPTKMT2AKDM4EMEN1
SCHEMBL16603270 0.77 F2RL3 (0.50) F2RL3MAPTKMT2AMEN1HSD17B10
SCHEMBL197538 0.77 F2RL3 (0.50) F2RL3KMT2AMEN1HSD17B10NPC1
SCHEMBL2699872 0.76 CYP19A1 (0.48) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL2698390 0.75 CYP19A1 (0.47) MAPTKMT2AKDM4EMEN1NPC1

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 F2RL3 2800/4885KCNH2 4061/4885MAPT 1634/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 F2RL3 2800/4885KCNH2 4061/4885MAPT 1634/4885

“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.