SCHEMBL1054877

SCHEMBL1054877

CCC(C(=O)O)n1c(C)cc2c1CCCC2=NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
UBE2N P61088 1/20 0.38
POLB P06746 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
PTPN7 P35236 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1054875 1.00 TSHR (0.38) TSHRMAPK1UBE2NPOLBPTGDR2
SCHEMBL1050250 0.83 SMN1; SMN2 (0.45) TSHRPOLBPTGDR2KMT2ALMNA
SCHEMBL11891669 0.75 POLB (0.40) TSHRMAPK1UBE2NPOLBPTGDR2
SCHEMBL1055117 0.75 POLB (0.40) TSHRMAPK1UBE2NPOLBPTGDR2
SCHEMBL1055118 0.75 POLB (0.40) TSHRMAPK1UBE2NPOLBPTGDR2
SCHEMBL11893024 0.74 KMT2A (0.44) TSHRMAPK1UBE2NPOLBKMT2A
SCHEMBL11891662 0.71 LMNA (0.48) TSHRMAPK1UBE2NKMT2ALMNA
SCHEMBL1054878 0.71 LMNA (0.48) TSHRMAPK1UBE2NKMT2ALMNA
SCHEMBL11891663 0.71 LMNA (0.48) TSHRMAPK1UBE2NKMT2ALMNA
SCHEMBL11893026 0.69 TSHR (0.38) TSHRMAPK1UBE2NPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046394-A1 Pharmaceutical Process and Intermediates 714 ASTRAZENECA AB (SE) 2011-02-24 US disclosed
WO-2011004182-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4- (ACETYLAMINO) ) -3- [ (4-CHLORO-PHENYL) THIO] -2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2011-01-13 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-20110046394-A1 Pharmaceutical Process and Intermediates 714 CYP3A4, CYP4A11, CYP4B1 TSHR 1889/4885MAPK1 261/4885UBE2N 1369/4885

“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.