SCHEMBL3164076

SCHEMBL3164076

CC(C)(C)OC(=O)COc1ccc(Br)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPN1 P18031 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL23348624 0.79 KDM4E (0.50) GPR119ALDH1A1KDM4EMAPTALOX5AP
SCHEMBL28524909 0.78 HTR7 (0.47) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL29359527 0.77 LMNA (0.36) GPR119KMT2ALMNADGAT1
SCHEMBL31079960 0.77 LMNA (0.36) GPR119KMT2ALMNADGAT1
SCHEMBL3174814 0.77 TSHR (0.48) POLBALDH1A1TSHRKMT2AMEN1
SCHEMBL23810890 0.77 MTNR1A (0.36) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL23348672 0.76 PTPN1 (0.44) POLBGPR119PSEN1PSEN2APH1B
SCHEMBL30188377 0.76 PTPN1 (0.44) POLBGPR119PSEN1PSEN2APH1B
SCHEMBL31370820 0.75 ALDH1A1 (0.39) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL3172789 0.73 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EKMT2AMEN1

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
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 POLB 2912/4885GPR119 420/4885PSEN1 3016/4885

“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.