SCHEMBL211742

SCHEMBL211742

COc1ccc(CCNc2ccnc(NCc3ccc(C(=O)O)cc3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
PTGDR Q13258 1/20 0.52
MAPT P10636 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 1/20 0.47
ACHE P22303 3/20 0.47
CCNT1 O60563 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
APP P05067 1/20 0.46
FGFR1 P11362 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL210977 0.92 SMN1; SMN2 (0.53) SMN1; SMN2PTGDRMAPTLMNATSHR
SCHEMBL210186 0.83 HDAC1 (0.72) HDAC1
SCHEMBL6750787 0.80 HDAC1 (0.69) SMN1; SMN2MAPTNR1H4L3MBTL1HDAC1
SCHEMBL959130 0.78 PTGDR (0.64) SMN1; SMN2PTGDRMAPTLMNATSHR
SCHEMBL11266561 0.78 MAPT (0.63) MAPTNR1H4ALDH1A1KDM4EHTT
SCHEMBL963400 0.76 ROCK1 (0.48) PTGDRMAPTLMNATSHRACHE
SCHEMBL210539 0.76 SMN1; SMN2 (0.64) SMN1; SMN2PTGDRMAPTL3MBTL1LMNA
SCHEMBL8686297 0.73 L3MBTL1 (0.55) SMN1; SMN2NR1H4L3MBTL1ALDH1A1ACHE
SCHEMBL1064897 0.72 NR1H4 (0.67) SMN1; SMN2MAPTNR1H4L3MBTL1ALDH1A1
SCHEMBL5089234 0.72 DYRK1A (0.64) SMN1; SMN2MAPTLMNAALDH1A1HDAC1

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 SMN1; SMN2 3557/4885PTGDR 4719/4885MAPT 3612/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 SMN1; SMN2 2705/4885PTGDR 4483/4885MAPT 3905/4885

“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.