SCHEMBL2844665

SCHEMBL2844665

O=C(O)NCCCc1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
EPHX2 P34913 2/20 0.51
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
POLB P06746 2/20 0.47
EPHX1 P07099 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4C Q9H3R0 1/20 0.47

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
SCHEMBL2846899 0.95 SMN1; SMN2 (0.50) KDM4ERAB9ASMN1; SMN2NPC1EPHX2
SCHEMBL2840635 0.93 TRPV1 (0.53) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL334624 0.93 TRPV1 (0.53) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL334426 0.89 SMN1; SMN2 (0.63) KDM4ERAB9ASMN1; SMN2NPC1HDAC2
SCHEMBL3049837 0.84 KDM4E (0.49) KDM4EL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL164622 0.82 L3MBTL1 (0.72) KDM4EL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL2357555 0.82 RAB9A (0.79) KDM4ERAB9ASMN1; SMN2NPC1EPHX2
SCHEMBL19133494 0.81 ALDH1A1 (0.65) SMN1; SMN2GAACYP2D6CYP2C19
SCHEMBL18381418 0.80 LMNA (0.68) KDM4EL3MBTL1SMN1; SMN2HPGDGAA
SCHEMBL23291153 0.80 EPHX2 (0.53) RAB9ASMN1; SMN2NPC1EPHX2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964654-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-01-13 EP disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
WO-2014138562-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-12 WO disclosed
EP-2251324-A1 HETEROARYL-ALKYLCARBAMATE COMPOUNDS AND THEIR USE AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2010-11-17 EP disclosed
EP-1720829-B1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-10-14 EP 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-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS SIRT2, SIRT1, SIRT6 KDM4E 533/4885L3MBTL1 3141/4885RAB9A 2346/4885

“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.