SCHEMBL16260615

SCHEMBL16260615

CC(O)COCCNC(=O)/C=C/c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
RAB9A P51151 2/20 0.61
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MMP1 P03956 2/20 0.55
MMP2 P08253 2/20 0.55
MMP9 P14780 2/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
EGFR P00533 1/20 0.54
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49

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
SCHEMBL21593779 0.83 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL22881994 0.83 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL22881963 0.81 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL2385951 0.81 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL12253197 0.80 SMN1; SMN2 (0.71) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL28539181 0.80 SMN1; SMN2 (0.66) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL28539180 0.80 SMN1; SMN2 (0.66) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL24090247 0.79 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL8741412 0.79 EGFR (0.73) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL8642620 0.79 KMT2A (0.61) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1

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
US-20160317479-A1 METHOD OF TREATING OR PREVENTING PAIN NOVAREMED LTD. (IL) 2016-11-03 US disclosed
US-20140350099-A1 Method of Treating or Preventing Pain NOVAREMED LTD. (IL) 2014-11-27 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-20140350099-A1 Method of Treating or Preventing Pain OPRL1, CALCA, CHRM1 SMN1; SMN2 1628/4885RAB9A 4231/4885KMT2A 2303/4885
US-20160317479-A1 METHOD OF TREATING OR PREVENTING PAIN OPRL1, CALCA, CHRM1 SMN1; SMN2 1628/4885RAB9A 4231/4885KMT2A 2303/4885

“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.