SCHEMBL11891663

SCHEMBL11891663

CCOC(=O)Cn1c(C)cc2c1CCC/C2=N\O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 5/20 0.44
MAPK1 P28482 2/20 0.44
UBE2N P61088 1/20 0.44
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 1/20 0.41
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PIN1 Q13526 1/20 0.35
PIN4 Q9Y237 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL11891662 1.00 LMNA (0.48) LMNAALDH1A1TSHRMAPK1UBE2N
SCHEMBL1054878 1.00 LMNA (0.48) LMNAALDH1A1TSHRMAPK1UBE2N
SCHEMBL1055117 0.84 POLB (0.40) LMNAALDH1A1TSHRMAPK1UBE2N
SCHEMBL1055118 0.84 POLB (0.40) LMNAALDH1A1TSHRMAPK1UBE2N
SCHEMBL11891669 0.84 POLB (0.40) LMNAALDH1A1TSHRMAPK1UBE2N
SCHEMBL1055360 0.83 LMNA (0.51) LMNAALDH1A1TSHRMAPK1KDM4E
SCHEMBL11893024 0.81 KMT2A (0.44) LMNAALDH1A1TSHRMAPK1UBE2N
SCHEMBL13417273 0.79 LMNA (0.55) LMNAALDH1A1TSHRMAPK1KDM4E
SCHEMBL702471 0.77 SMN1; SMN2 (0.46) LMNAALDH1A1TSHRMAPK1UBE2N
SCHEMBL702470 0.77 SMN1; SMN2 (0.46) LMNAALDH1A1TSHRMAPK1UBE2N

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451780-B1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4-(ACETYLAMINO))-3-[(4-CHLORO-PHENYL)THIO]-2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
US-8227622-B2 Pharmaceutical process and intermediates 714 ASTRAZENECA AB (SE) 2012-07-24 US disclosed
US-8227622-B2 Pharmaceutical process and intermediates 714 ASTRAZENECA AB (SE) 2012-07-24 US disclosed
US-20110046394-A1 Pharmaceutical Process and Intermediates 714 ASTRAZENECA AB (SE) 2011-02-24 US disclosed
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 LMNA 4139/4885ALDH1A1 539/4885TSHR 1889/4885

“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.