SCHEMBL9915353

SCHEMBL9915353

CCCCOc1cn(OCCCC)c(CN2C(=O)c3ccccc3C2=O)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
RAB9A P51151 5/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9915355 0.77 COMT (0.38) KMT2ARAB9ANPC1TDP1L3MBTL1
SCHEMBL9915322 0.77 CYP1A2 (0.34) KMT2ARAB9AHPGDTSHRNPC1
SCHEMBL16748752 0.77 TP53 (0.34) KMT2ARAB9AHPGDTSHRNPC1
SCHEMBL16748757 0.75 S1PR2 (0.33) KMT2ARAB9ATSHRNPC1TDP1
SCHEMBL9172410 0.73 CASP3 (0.51) KMT2ARAB9A
SCHEMBL9915356 0.72 MEN1 (0.33) KMT2ARAB9ANPC1L3MBTL1MAPT
SCHEMBL9915436 0.71 FAAH (0.36) TSHRMAPK1RECQLALDH1A1
SCHEMBL9915312 0.71 ALDH1A1 (0.47) KMT2ARAB9AHPGDTSHRNPC1
SCHEMBL15279057 0.70 TP53 (0.33) KMT2AHPGDTSHRTDP1MAPK1
SCHEMBL9915301 0.70 TDP1 (0.36) KMT2ARAB9ANPC1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
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 (3 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 KMT2A 608/4885RAB9A 2614/4885HPGD 2345/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM KMT2A 608/4885RAB9A 2614/4885HPGD 2345/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM KMT2A 608/4885RAB9A 2614/4885HPGD 2345/4885

“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.