SCHEMBL10107893

SCHEMBL10107893

C=C[C@@H](OCCCC)[C@@H](O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
NPC1 O15118 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
SCHEMBL9287794 1.00 KMT2A (0.43) KMT2AALDH1A1MAPK1CASP3NPSR1
SCHEMBL12807351 0.86 CASP3 (0.40) KMT2AALDH1A1CASP3NPSR1RAB9A
SCHEMBL9611861 0.86 CASP3 (0.40) KMT2AALDH1A1CASP3NPSR1RAB9A
SCHEMBL10198307 0.86 CASP3 (0.40) KMT2AALDH1A1CASP3NPSR1RAB9A
SCHEMBL10126133 0.80 MAPK1 (0.55) KMT2AALDH1A1MAPK1CASP3NPSR1
SCHEMBL13173222 0.80 MAPK1 (0.55) KMT2AALDH1A1MAPK1CASP3NPSR1
SCHEMBL9252125 0.80 MAPK1 (0.55) KMT2AALDH1A1MAPK1CASP3NPSR1
SCHEMBL12330520 0.79 CASP3 (0.44) KMT2AALDH1A1CASP3NPSR1
SCHEMBL10107892 0.79 CASP3 (0.44) KMT2AALDH1A1CASP3NPSR1
SCHEMBL9611859 0.78 ALDH1A1 (0.40) KMT2AALDH1A1NPSR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481502-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-09 US disclosed
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-10-11 US disclosed
WO-2011044502-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-23 WO disclosed
WO-2011044538-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-01-05 WO disclosed
WO-2011044538-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044502-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 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 (4 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-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 KMT2A 2692/4885ALDH1A1 1262/4885MAPK1 3946/4885
US-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 KMT2A 3371/4885ALDH1A1 1063/4885MAPK1 3898/4885
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 KMT2A 2692/4885ALDH1A1 1262/4885MAPK1 3946/4885
US-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, Q6ZSR9, NQO2 KMT2A 2974/4885ALDH1A1 1641/4885MAPK1 4098/4885

“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.