SCHEMBL204269

SCHEMBL204269

CC(=O)OCCCn1c(=S)[nH]c2cnc3cc(Br)ccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 4/20 0.40
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
UBE2N P61088 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL202089 0.80 DYRK1A (0.44) ALDH1A1SMN1; SMN2MAPTTSHRRECQL
SCHEMBL203332 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRRXFP1NPSR1
SCHEMBL203381 0.77 ALDH1A1 (0.44) ALDH1A1MAPTTSHRRXFP1NPSR1
SCHEMBL202429 0.66 MAPK1 (0.42) ALDH1A1TSHRRECQLRXFP1CYP1A2
SCHEMBL1775918 0.64 BRD4 (0.37) ALDH1A1TSHRRXFP1NPSR1HTT
SCHEMBL6248929 0.64 TLR7 (0.42) LMNA
SCHEMBL203548 0.63 MAPK1 (0.40) ALDH1A1MAPTHPGDRECQLRXFP1
SCHEMBL24381977 0.63 ENPP1 (0.46) ALDH1A1SMN1; SMN2TSHRHPGDTP53
SCHEMBL5617953 0.62 PPARG (0.38) SMN1; SMN2
SCHEMBL5131268 0.62 NSD3 (0.57) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 US disclosed
WO-2007106852-A2 SUBSTITUTED FUSED[1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 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-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 ALDH1A1 979/4885SMN1; SMN2 2548/4885MAPT 4635/4885

“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.