SCHEMBL2426533

SCHEMBL2426533

CNc1ccc(C(=O)OC)c(C)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGER4 P35408 1/20 0.40
HCAR3 P49019 1/20 0.40
HTT P42858 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
CDC25B P30305 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL27797779 0.85 SMN1; SMN2 (0.46) KDM4EPOLBATMMAPTSMN1; SMN2
SCHEMBL5988015 0.85 SMN1; SMN2 (0.49) KDM4EPOLBMAPTSMN1; SMN2MEN1
SCHEMBL543239 0.83 SMN1; SMN2 (0.42) KDM4EPOLBMAPTSMN1; SMN2MEN1
SCHEMBL27862571 0.83 TSHR (0.50) KDM4EPOLBMAPTSMN1; SMN2MEN1
SCHEMBL15398667 0.83 SMN1; SMN2 (0.50) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL18641491 0.82 MAPT (0.51) KDM4EPOLBATMMAPTSMN1; SMN2
SCHEMBL28404963 0.81 GAA (0.46) KDM4EPOLBMAPTSMN1; SMN2MEN1
SCHEMBL15774660 0.81 ALDH1A1 (0.53) KDM4EPOLBMAPTSMN1; SMN2MEN1
SCHEMBL2428993 0.80 ALDH1A1 (0.45) KDM4EPOLBATMMAPTSMN1; SMN2
SCHEMBL18737796 0.80 SMN1; SMN2 (0.42) KDM4EPOLBMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 KDM4E 4402/4885POLB 1234/4885ATM 3818/4885

“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.