SCHEMBL4796372

SCHEMBL4796372

c1ccc2c(Nc3ccc(Oc4ccc(Nc5cccc6ccccc56)cc4)cc3)cccc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.75
CDC25B P30305 2/20 0.69
ALDH1A1 P00352 1/20 0.69
TP53 P04637 1/20 0.69
CYP3A4 P08684 1/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.69
ATM Q13315 1/20 0.69
HSD17B10 Q99714 1/20 0.69
ERBB2 P04626 1/20 0.54
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
MAPT P10636 1/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
FADS1 O60427 1/20 0.53

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
SCHEMBL14407636 0.96 RAB9A (0.71) RAB9ACDC25BALDH1A1TP53CYP3A4
SCHEMBL29619354 0.88 HSD17B10 (0.87) RAB9ACDC25BALDH1A1TP53CYP3A4
SCHEMBL651572 0.88 HSD17B10 (0.87) RAB9ACDC25BALDH1A1TP53CYP3A4
SCHEMBL30273064 0.86 RAB9A (1.00) RAB9ACDC25BALDH1A1TP53CYP3A4
SCHEMBL30273063 0.86 RAB9A (1.00) RAB9ACDC25BALDH1A1TP53CYP3A4
SCHEMBL2114596 0.86 RAB9A (1.00) RAB9ACDC25BALDH1A1TP53CYP3A4
SCHEMBL28441091 0.84 RAB9A (0.69) RAB9ACDC25BALDH1A1TP53CYP3A4
SCHEMBL29521400 0.82 HSD17B10 (0.77) RAB9ACDC25BALDH1A1TP53CYP3A4
SCHEMBL74528 0.82 HSD17B10 (0.77) RAB9ACDC25BALDH1A1TP53CYP3A4
SCHEMBL4797443 0.82 ALDH1A1 (0.92) RAB9ACDC25BALDH1A1TP53CYP3A4

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
CN-100528831-C Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2009-08-19 CN disclosed
US-20080241591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND PHENYLENEDIAMINE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2008-10-02 US disclosed
US-7399537-B2 Organic electroluminescence device and phenylenediamine derivative IDEMITSU KOSAN CO., LTD. (JP) 2008-07-15 US disclosed
CN-101096344-A Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2008-01-02 CN disclosed
US-20060082294-A1 Organic electroluminescence device and phenylenediamine derivative IDEMITSU KOSAN CO., LTD. (JP) 2006-04-20 US disclosed
CN-1733700-A Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2006-02-15 CN disclosed
CN-1213127-C Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2005-08-03 CN disclosed
US-20030143430-A1 Organic electroluminescence device and phenylenediamine derivative IDEMITSU KOSAN CO., LTD. (JP) 2003-07-31 US disclosed
US-6541129-B1 Having a long life time that can decrease the driving voltage; using a phenylenediamine material having a small ionization potential and exhibiting a large hole mobility IDEMITSU KOSAN CO., LTD. (JP) 2003-04-01 US disclosed
CN-1277626-A Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2000-12-20 CN disclosed
EP-1029909-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND PHENYLENEDIAMINE DERIVATIVE Idemitsu Kosan Co., Ltd. (JP) 2000-08-23 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 (2 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-20080241591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND PHENYLENEDIAMINE DERIVATIVE MAL2, L1CAM, EPCAM RAB9A 1998/4885CDC25B 1927/4885ALDH1A1 734/4885
US-20030143430-A1 Organic electroluminescence device and phenylenediamine derivative MAL2, SLC7A5, OCIAD2 RAB9A 2360/4885CDC25B 1683/4885ALDH1A1 755/4885

“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.