SCHEMBL3059472

SCHEMBL3059472

Cc1ccc(O)cc1Nc1nc(N/N=C\c2ccccc2[N+](=O)[O-])nc(N2CCOCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.60
▸ NLRP3 Q96P20 1/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MAPT P10636 9/20 0.55
▸ AKR1C3 P42330 1/20 0.55
▸ AKR1C1 Q04828 1/20 0.55
▸ LMNA P02545 4/20 0.52
▸ HTT P42858 5/20 0.51
▸ POLB P06746 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ BLM P54132 2/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ GAA P10253 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47

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
SCHEMBL3059474 1.00 MAPK1 (0.60) MAPK1NLRP3SMN1; SMN2MAPTAKR1C3
SCHEMBL3062167 1.00 MAPK1 (0.60) MAPK1NLRP3SMN1; SMN2MAPTAKR1C3
SCHEMBL13219100 0.79 MAPK1 (0.78) MAPK1NLRP3SMN1; SMN2MAPTAKR1C3
SCHEMBL13091214 0.75 MAPT (0.86) MAPK1NLRP3SMN1; SMN2MAPTAKR1C3
SCHEMBL8239323 0.74 MAPT (0.51) SMN1; SMN2MAPTLMNAHTTPOLB
SCHEMBL11913671 0.73 DDX3X (0.82) SMN1; SMN2MAPTLMNAHTTPOLB
SCHEMBL19002884 0.73 MAPT (0.60) MAPK1NLRP3SMN1; SMN2MAPTAKR1C3
SCHEMBL22737771 0.72 KMT2A (0.57) SMN1; SMN2MAPTLMNAHTTPOLB
SCHEMBL22737561 0.71 GBA1 (0.49) SMN1; SMN2MAPTLMNAHTTPOLB
SCHEMBL11961916 0.71 MAPT (0.79) SMN1; SMN2MAPTAKR1C3AKR1C1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194783-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM Discovery, Inc. (US) 2010-06-16 — — EP claimed
WO-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 — — WO claimed
EP-2194783-B1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC (US) 2017-07-05 — — EP disclosed
US-8618110-B2 Compositions and methods for apoptosis modulators VM DISCOVERY INC. (US) 2013-12-31 — — US disclosed
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 — — US disclosed
EP-2194783-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM Discovery, Inc. (US) 2010-06-16 — — EP disclosed
WO-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 — — 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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD MAPK1 2582/4885NLRP3 3087/4885SMN1; SMN2 1154/4885

“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.

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