SCHEMBL9934529

SCHEMBL9934529

c1cc(NC2CCCCC2)ccc1Nc1ccc(NC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
LMNA P02545 4/20 0.55
GAA P10253 4/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
APAF1 O14727 1/20 0.50
BLM P54132 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL3400048 0.93 MAPT (0.61) MAPTLMNAGAAPOLBMEN1
SCHEMBL78145 0.93 MAPT (0.61) MAPTLMNAGAAPOLBMEN1
SCHEMBL11526941 0.93 MAPT (0.61) MAPTLMNAGAAPOLBMEN1
SCHEMBL9514274 0.92 MAPT (0.58) MAPTLMNAGAAPOLBMEN1
SCHEMBL39716 0.92 MAPT (0.58) MAPTLMNAGAAPOLBMEN1
SCHEMBL809612 0.92 MAPT (0.58) MAPTLMNAGAAPOLBMEN1
SCHEMBL1848681 0.92 MAPT (0.58) MAPTLMNAGAAPOLBMEN1
SCHEMBL11356806 0.92 MAPT (0.58) MAPTLMNAGAAPOLBMEN1
SCHEMBL809549 0.92 MAPT (0.58) MAPTLMNAGAAPOLBMEN1
SCHEMBL11526739 0.90 MAPT (0.63) MAPTLMNAGAAPOLBMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 3922/4885LMNA 1694/4885GAA 1352/4885
US-20120157713-A1 METHOD FOR PREPARATION OF 4,4'-DINITRODIPHENYLAMINE AND 4,4'-BIS(ALKYLAMINO)DIPHENYLAMINE WITH THE BASE CATALYST COMPLEX NAAA, HNF4A, ABAT MAPT 2789/4885LMNA 1523/4885GAA 925/4885

“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.