SCHEMBL435103

SCHEMBL435103

COC(=O)c1c(N)ccc(-c2ccoc2C=O)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SETD7 Q8WTS6 1/20 0.32
ERN1 O75460 1/20 0.31
TSHR P16473 2/20 0.31
ABCC4 O15439 1/20 0.31
PLIN1 O60240 1/20 0.31
CACNA1F O60840 1/20 0.31
GMNN O75496 1/20 0.31
KCNK2 O95069 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
SCHEMBL436640 0.82 CA12 (0.34) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL434179 0.71 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL434818 0.70 KDM4E (0.35) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL8135381 0.67 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL1918262 0.66 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL27918038 0.64 ALDH1A1 (0.35) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL5310060 0.64 KMT2A (0.47) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL7228617 0.64 ALDH1A1 (0.43) SMN1; SMN2KMT2AMAPTGAAPOLB
SCHEMBL27933553 0.63 APP (0.44) KMT2AMEN1MAPTGAAPOLB
SCHEMBL9099498 0.63 ERN1 (0.49) SMN1; SMN2KMT2AMEN1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US disclosed
EP-2595988-B1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN INC (US) 2014-12-17 EP disclosed
EP-2595988-B1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN INC (US) 2014-12-17 EP disclosed
CN-103249735-A Tricyclic compounds and methods of making and using the same ZAFGEN CORP 2013-08-14 CN disclosed
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 WO disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 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 (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-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 SMN1; SMN2 3667/4885KMT2A 916/4885MEN1 1228/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 SMN1; SMN2 3667/4885KMT2A 916/4885MEN1 1228/4885

“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.