SCHEMBL9934007

SCHEMBL9934007

CC(C)Nc1ccc(Nc2ccc(NC(C)C)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.81
ALDH1A1 P00352 5/20 0.81
HSD17B10 Q99714 5/20 0.81
L3MBTL1 Q9Y468 5/20 0.81
ALOX15 P16050 4/20 0.81
TSHR P16473 4/20 0.81
CYP3A4 P08684 3/20 0.81
ALOX12 P18054 3/20 0.81
THRB P10828 3/20 0.81
RECQL P46063 3/20 0.81
LMNA P02545 1/20 0.81
ATM Q13315 1/20 0.81
MAPK1 P28482 3/20 0.48
HIF1A Q16665 2/20 0.48
RXFP1 Q9HBX9 2/20 0.47
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH3 Q9ULD8 7/20 0.45

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
SCHEMBL39430 0.91 TDP1 (0.72) TDP1ALDH1A1HSD17B10L3MBTL1ALOX15
SCHEMBL675141 0.90 TDP1 (0.68) TDP1ALDH1A1HSD17B10L3MBTL1ALOX15
SCHEMBL38820 0.90 ALDH1A1 (1.00) TDP1ALDH1A1HSD17B10L3MBTL1ALOX15
SCHEMBL16961901 0.88 ALDH1A1 (0.65) TDP1ALDH1A1HSD17B10L3MBTL1ALOX15
SCHEMBL21480372 0.88 L3MBTL1 (0.65) TDP1ALDH1A1HSD17B10L3MBTL1ALOX15
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL10454791 0.88 ALDH1A1 (0.95) TDP1ALDH1A1HSD17B10L3MBTL1ALOX15
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL10454790 0.88 ALDH1A1 (0.95) TDP1ALDH1A1HSD17B10L3MBTL1ALOX15
SCHEMBL8467092 0.88 ALDH1A1 (0.95) TDP1ALDH1A1HSD17B10L3MBTL1ALOX15
SCHEMBL11659836 0.88 ALDH1A1 (0.65) TDP1ALDH1A1HSD17B10L3MBTL1ALOX15
Hydrogen Sulfide SCHEMBL8467082 0.88 ALDH1A1 (0.95) TDP1ALDH1A1HSD17B10L3MBTL1ALOX15

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-4752119-A Electrochromic display devices NEC CORPORATION (JP) 1988-06-21 US claimed
WO-2024137665-A2 RUBBER COMPOSITIONS COMPRISING ANTIDEGRADANTS FLEXSYS AMERICA L.P. (US) 2024-06-27 WO disclosed
WO-2023215590-A2 ANTIDEGRADANT COMPOUNDS AND USES THEREOF FLEXSYS AMERICA L.P. (US) 2023-11-09 WO disclosed
US-8835687-B2 Method for preparation of 4,4′-dinitrodiphenylamine and 4,4′-bis(alkylamino)diphenylamine with the base catalyst complex KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2014-09-16 US disclosed
US-8759587-B2 Method for preparation of 4,4′-dinitrodiphenylamine and 4,4′-bis(alkylamino)diphenylamine by using 4-nitroaniline KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2014-06-24 US disclosed
US-20120197044-A1 PRODUCTION METHOD FOR 4,4'-BIS(ALKYLAMINO) DIPHENYLAMINE KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-08-02 US disclosed
US-20120157713-A1 METHOD FOR PREPARATION OF 4,4'-DINITRODIPHENYLAMINE AND 4,4'-BIS(ALKYLAMINO)DIPHENYLAMINE WITH THE BASE CATALYST COMPLEX KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-21 US disclosed
US-20120157714-A1 METHOD FOR PREPARATION OF 4,4'-DINITRODIPHENYLAMINE AND 4,4'-BIS(ALKYLAMINO)DIPHENYLAMINE BY USING 4-NITROANILINE KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-21 US disclosed
US-4752119-A Electrochromic display devices NEC CORPORATION (JP) 1988-06-21 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 (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-20120157714-A1 METHOD FOR PREPARATION OF 4,4'-DINITRODIPHENYLAMINE AND 4,4'-BIS(ALKYLAMINO)DIPHENYLAMINE BY USING 4-NITROANILINE NAAA, AADAT, HPD TDP1 3294/4885ALDH1A1 429/4885HSD17B10 403/4885
US-20120157713-A1 METHOD FOR PREPARATION OF 4,4'-DINITRODIPHENYLAMINE AND 4,4'-BIS(ALKYLAMINO)DIPHENYLAMINE WITH THE BASE CATALYST COMPLEX NAAA, HNF4A, ABAT TDP1 2632/4885ALDH1A1 845/4885HSD17B10 335/4885

“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.