SCHEMBL869207

SCHEMBL869207

COCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.55
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 4/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HTT P42858 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CASP7 P55210 1/20 0.50
IDO1 P14902 1/20 0.49
TP53 P04637 1/20 0.47

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
SCHEMBL762770 0.83 MAPT (0.68) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7745470 0.81 ALDH1A1 (0.66) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28219732 0.81 MAPT (0.50) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL162875 0.80 KAT2B (0.60) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14839882 0.80 KAT2B (0.64) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9781715 0.80 KAT2B (0.64) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6198859 0.80 KAT2B (0.80) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29516821 0.80 KAT2B (0.64) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8544433 0.79 MAPT (0.55) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9276000 0.79 MAPT (0.51) KAT2BMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020119606-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-18 WO disclosed
EP-2621888-B1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE NOXELL CORP (US) 2018-09-12 EP disclosed
US-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 US disclosed
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 US disclosed
US-8618326-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2013-12-31 US disclosed
EP-2621888-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2012050593-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTER & GAMBLE COMPANY (US) 2012-04-19 WO disclosed
US-20120078016-A1 Methods of Synthesizing 2-Substituted-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-03-29 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-20120078016-A1 Methods of Synthesizing 2-Substituted-1,4-Benzenediamine TYR, BTD, BRD4 KAT2B 1885/4885MAPT 4602/4885SMN1; SMN2 2159/4885
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE TYR, BTD, BRD4 KAT2B 1885/4885MAPT 4602/4885SMN1; SMN2 2159/4885

“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.