SCHEMBL9915484

SCHEMBL9915484

CCCCOc1c[nH]c(C(=O)Nc2ccc(CC(=O)OCC)cc2)cc1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
POLB P06746 2/20 0.43
SMYD3 Q9H7B4 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ADORA2B P29275 2/20 0.40
ADORA2A P29274 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAPK1 P28482 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL9915491 0.89 SMYD3 (0.45) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL16748652 0.83 MEN1 (0.42) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL15279079 0.81 TLR7 (0.45) LMNAMEN1KMT2ARAB9ATLR7
SCHEMBL9915519 0.78 MEN1 (0.44) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16747359 0.78 MAPT (0.44) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11362734 0.76 KDM4E (0.59) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL14124965 0.73 MEN1 (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14124962 0.73 NR1H4 (0.47) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL11358221 0.73 KDM4E (0.56) MAPTHTTALDH1A1
SCHEMBL16748804 0.72 NR1H4 (0.46) SMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM MAPT 3674/4885SMN1; SMN2 4574/4885LMNA 4489/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM MAPT 3674/4885SMN1; SMN2 4574/4885LMNA 4489/4885

“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.