SCHEMBL10149935

SCHEMBL10149935

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD3 P35462 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL9611859 1.00 ALDH1A1 (0.40) ALDH1A1KMT2AHPGDNPSR1DRD3
SCHEMBL10198307 0.89 CASP3 (0.40) ALDH1A1KMT2AHPGDNPSR1DRD3
SCHEMBL9611861 0.89 CASP3 (0.40) ALDH1A1KMT2AHPGDNPSR1DRD3
SCHEMBL12807351 0.89 CASP3 (0.40) ALDH1A1KMT2AHPGDNPSR1DRD3
SCHEMBL9287796 0.81 ALDH1A1 (0.45) ALDH1A1KMT2ARAB9ANPC1
SCHEMBL10108123 0.81 ALDH1A1 (0.45) ALDH1A1KMT2ARAB9ANPC1
SCHEMBL10198297 0.81 ALDH1A1 (0.45) ALDH1A1KMT2ARAB9ANPC1
SCHEMBL10198316 0.79 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDNPSR1DRD3
SCHEMBL10107970 0.79 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDNPSR1DRD3
SCHEMBL9287794 0.78 KMT2A (0.43) ALDH1A1KMT2ANPSR1RAB9ANPC1

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 11 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-20120283208-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-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-10-11 US disclosed
WO-2011044501-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-04-19 WO disclosed
WO-2011044498-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2011044503-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2011044503-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044501-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044498-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 ALDH1A1 1262/4885KMT2A 2692/4885HPGD 2828/4885
US-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALDH1A1 1063/4885KMT2A 3371/4885HPGD 2068/4885
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 ALDH1A1 1262/4885KMT2A 2692/4885HPGD 2828/4885
US-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, Q6ZSR9, NQO2 ALDH1A1 1641/4885KMT2A 2974/4885HPGD 2822/4885

“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.