SCHEMBL259947

SCHEMBL259947

COC(=O)/C(=C/c1cccnc1)NC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.45
KMT2A Q03164 4/20 0.45
CYP1A1 P04798 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP1B1 Q16678 4/20 0.45
APAF1 O14727 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL17791879 0.85 MAPT (0.55) MAPTLMNASMN1; SMN2MAPK1KDM4E
SCHEMBL11484627 0.85 MAPT (0.55) MAPTLMNASMN1; SMN2MAPK1KDM4E
SCHEMBL11484623 0.85 MAPT (0.55) MAPTLMNASMN1; SMN2MAPK1KDM4E
SCHEMBL3682708 0.82 MEN1 (0.56) LMNASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL186729 0.82 MEN1 (0.56) LMNASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL187458 0.82 MEN1 (0.56) LMNASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL3225999 0.82 MAPT (0.78) MAPTLMNASMN1; SMN2MAPK1KDM4E
SCHEMBL8430296 0.80 MEN1 (0.47) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL8430294 0.80 MEN1 (0.47) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL10373700 0.79 MAPT (0.74) MAPTLMNASMN1; SMN2MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246907-A1 PYRIDOMYCIN BASED COMPOUNDS EXHIBITING AN ANTITUBERCULAR ACTIVITY ETH ZURICH (CH) 2015-09-03 US disclosed
US-20150246907-A1 PYRIDOMYCIN BASED COMPOUNDS EXHIBITING AN ANTITUBERCULAR ACTIVITY ETH ZURICH (CH) 2015-09-03 US disclosed
WO-2014040709-A1 PYRIDOMYCIN BASED COMPOUNDS EXHIBITING AN ANTITUBERCULAR ACTIVITY ETH ZURICH (CH) 2014-03-20 WO disclosed
US-8067642-B2 Chiral phosphorous compounds Celtice Catalysts Limited, Nova UCD (IE) 2011-11-29 US disclosed
US-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS CELTIC CATALYSTS LIMITED (IE) 2010-07-01 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-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS RPP30, PLCB3, INPP5D MAPT 4587/4885LMNA 4020/4885SMN1; SMN2 4509/4885
US-20150246907-A1 PYRIDOMYCIN BASED COMPOUNDS EXHIBITING AN ANTITUBERCULAR ACTIVITY NR1H2, NR1H3, NR4A1 MAPT 3630/4885LMNA 2270/4885SMN1; SMN2 4306/4885

“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.