SCHEMBL2498056

SCHEMBL2498056

CCCC(CCC)n1ccc2c(I)cccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.36
SLC2A1 P11166 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GRM2 Q14416 7/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
CMA1 P23946 1/20 0.31
TYMS P04818 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL15871407 0.88 P2RX7 (0.35) P2RX7TDP1L3MBTL1GRM2ALDH1A1
SCHEMBL12668543 0.81 P2RX7 (0.38) P2RX7TDP1L3MBTL1GRM2ALDH1A1
SCHEMBL2502255 0.79 P2RX7 (0.39) P2RX7TDP1ALDH1A1TSHRHSD17B10
SCHEMBL15871637 0.77 P2RX7 (0.35) P2RX7L3MBTL1ALDH1A1TSHRSMN1; SMN2
SCHEMBL1896101 0.76 MGLL (0.34) P2RX7TSHRTYMSGAA
SCHEMBL1900019 0.74 P2RX7 (0.51) P2RX7TDP1L3MBTL1ALDH1A1TSHR
SCHEMBL1899104 0.72 P2RX7 (0.42) P2RX7TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL1897096 0.72 P2RX7 (0.42) P2RX7TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL1897092 0.72 P2RX7 (0.42) P2RX7TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL12668520 0.71 CYP1A2 (0.42) P2RX7TDP1L3MBTL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030320-B2 Derivatives of 1-OXO-1,2-dihydroisoquinoline-5-carboxamides and of 4-OXO-3,4-dihydroquinazoline-8-carboxamides, preparation thereof and application thereof in therapeutics SANOFI-AVENTIS (FR) 2011-10-04 US disclosed
US-20100197706-A1 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2185523-A2 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044018-A2 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-04-09 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-20100197706-A1 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS BRD4, CNR2, AADAC P2RX7 502/4885SLC2A1 4039/4885TDP1 1784/4885

“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.