SCHEMBL839352

SCHEMBL839352

CCCCC(O)C(=O)Nc1cnc(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
NOTUM Q6P988 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
GCK P35557 2/20 0.36
RAB9A P51151 3/20 0.36
IDO1 P14902 2/20 0.36
NPC1 O15118 2/20 0.35
GLA P06280 1/20 0.35
DEGS1 O15121 1/20 0.35
HCAR3 P49019 1/20 0.34

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
SCHEMBL839205 0.82 TSHR (0.54) TSHRKDM4EMAPTHPGDL3MBTL1
SCHEMBL839101 0.79 GCK (0.45) TSHRNOTUMKDM4EMAPTHPGD
SCHEMBL839058 0.78 NOTUM (0.45) NOTUMKDM4EMAPTHPGDHTT
SCHEMBL18214838 0.77 NOTUM (0.44) NOTUMKDM4EMAPTL3MBTL1MAPK1
SCHEMBL838004 0.76 GCK (0.45) NOTUMKDM4EMAPTHPGDHTT
SCHEMBL26764538 0.75 NOTUM (0.46) TSHRNOTUMKDM4EMAPTSMN1; SMN2
SCHEMBL1848793 0.75 L3MBTL1 (0.61) NOTUMMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL1850645 0.72 MAPT (0.56) NOTUMMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL839612 0.72 GCK (0.48) NOTUMKDM4EGCKIDO1
SCHEMBL839153 0.72 GCK (0.43) NOTUMMAPK1GCKIDO1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO 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 (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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 TSHR 1264/4885NOTUM 1194/4885KDM4E 3541/4885

“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.