SCHEMBL14478909

SCHEMBL14478909

Cc1ccc(N(C)c2c(O)ccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RRM1 P23921 3/20 0.44
HKDC1 Q2TB90 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.40
USP2 O75604 1/20 0.40
PAK1 Q13153 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL24953215 0.84 MAPT (0.55) MAPTKDM4ETDP1PTPN22KMT2A
SCHEMBL12258278 0.80 CYP1A2 (0.42) TDP1HPGDL3MBTL1CYP1A2CYP2C19
SCHEMBL235341 0.77 MAPT (0.55) MAPTKDM4ETDP1RRM1PTPN22
SCHEMBL12048257 0.75 CYP1A2 (0.39) TDP1HPGDL3MBTL1CYP1A2CYP2C19
SCHEMBL12048210 0.73 CYP1A2 (0.37) MAPTKDM4ETDP1L3MBTL1CYP1A2
SCHEMBL12048738 0.73 SIGMAR1 (0.50) NPC1RAB9AL3MBTL1CYP1A2CYP2C19
SCHEMBL14519361 0.71 KDM1A (0.49) KDM4ETDP1HPGDRAB9AHSD17B10
SCHEMBL10053547 0.71 CYP2A6 (0.47) TDP1RRM1HKDC1KMT2AMEN1
SCHEMBL13899999 0.71 L3MBTL1 (0.40) MAPTKDM4EKMT2AMEN1HPGD
SCHEMBL17080390 0.71 RRM1 (0.42) MAPTKDM4ETDP1RRM1HKDC1

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-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US 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-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N MAPT 1707/4885KDM4E 4210/4885TDP1 3874/4885

“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.