SCHEMBL5084950

SCHEMBL5084950

O=Cc1ccc2ccccc2c1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.50
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
ATM Q13315 2/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CDC25B P30305 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 4/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
PTPN1 P18031 2/20 0.40
ERN1 O75460 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAD52 P43351 2/20 0.39
RECQL P46063 2/20 0.39

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
SCHEMBL31536849 0.87 KDM1A (0.54) KDM1AALDH1A1HPGDCDC25BPOLB
SCHEMBL21326973 0.87 KMT2A (0.46) KDM1AALDH1A1ATMKMT2APOLB
SCHEMBL10622117 0.83 HSD17B10 (0.48) KDM1AALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL16381880 0.79 ERN1 (0.46) ALDH1A1HSD17B10TSHRKMT2APOLB
SCHEMBL21320132 0.79 ERN1 (0.42) ALDH1A1CYP3A4HSD17B10TSHRKMT2A
SCHEMBL17022824 0.74 ALDH1A1 (0.62) KDM1AALDH1A1HPGDATMCYP3A4
SCHEMBL7539767 0.73 GAA (0.53) ALDH1A1CYP3A4KMT2APOLBMEN1
SCHEMBL2892422 0.73 ABCC9 (0.55) KDM1AALDH1A1HPGDTSHRKMT2A
SCHEMBL10871261 0.73 G6PD (0.54) KDM1AALDH1A1HPGDATMCYP3A4
SCHEMBL11219010 0.73 HSD17B10 (0.50) KDM1AALDH1A1HPGDATMCYP3A4

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
CN-102788755-B Engine lubricating oil identification method based on characteristic elements SHI YONGGANG 2014-11-19 CN disclosed
US-8872422-B2 Dinaphthyl ethylene derivativce, process for preparing it, film prepared from it, and OLED including the film TSINGHUA UNIVERSITY (CN) 2014-10-28 US disclosed
US-20080220286-A1 Electroluminescent compound; high color purity, high fluorescence yield, and high electric luminance yield; easy to synthesize and can easily form films TSINGHUA UNIVERSITY (CN) 2008-09-11 US disclosed
EP-0010316-B1 1-, 6- AND 2-SUBSTITUTED-1-CARBA-2-PENEM-3-CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME MERCK & CO. INC. (US) 1983-10-05 EP 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 (1 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-20080220286-A1 Electroluminescent compound; high color purity, high fluorescence yield, and high electric luminance yield; easy to synthesize and can easily form films EED, DDT, RABL6 KDM1A 2008/4885ALDH1A1 811/4885HPGD 2308/4885

“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.