SCHEMBL317845

SCHEMBL317845

CCOC(=O)Cn1c(C)c(-c2ncnc3sccc23)c2cc(C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HK1 P19367 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
PTGDR2 Q9Y5Y4 8/20 0.41
KDR P35968 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 2/20 0.39
CYP2C9 P11712 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL317267 0.88 PTGDR2 (0.52) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317217 0.74 TDP1 (0.47) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL317364 0.71 PTGDR2 (0.66) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL318635 0.69 PTGDR2 (0.79) SMN1; SMN2RAB9AALDH1A1TSHRHSD17B10
SCHEMBL317665 0.68 PTGDR2 (0.79) RAB9AALDH1A1TSHRHSD17B10PTGDR2
SCHEMBL318163 0.67 PTGDR2 (0.59) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL317141 0.67 PTGDR2 (0.80) SMN1; SMN2ALDH1A1TSHRHSD17B10HK1
SCHEMBL318131 0.67 PTGDR2 (0.80) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL2089664 0.67 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1HK1HKDC1PTGDR2
SCHEMBL317376 0.66 PTGDR2 (0.80) RAB9AALDH1A1TSHRHSD17B10PTGDR2

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-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US 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 (2 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 SMN1; SMN2 3813/4885RAB9A 2236/4885NPC1 1475/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 SMN1; SMN2 4517/4885RAB9A 1912/4885NPC1 3934/4885

“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.