SCHEMBL661607

SCHEMBL661607

COc1cc(OCCOC(C)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 10/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 5/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CHEK1 O14757 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6377931 0.85 KMT2A (0.57) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9170717 0.84 ALDH1A1 (0.53) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL657693 0.83 CHEK1 (0.53) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12961516 0.82 ALDH1A1 (0.47) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1697621 0.82 MAPT (0.67) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17197367 0.81 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL22955262 0.81 KMT2A (0.52) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2964413 0.81 KMT2A (0.52) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10846219 0.81 MAPT (0.45) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL26086276 0.80 KMT2A (0.52) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 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 (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-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 KMT2A 1667/4885SMN1; SMN2 3551/4885NPC1 3887/4885

“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.