SCHEMBL3397252

SCHEMBL3397252

CCCCCCCc1cc(CCCCCCC)c(N)c(C(C)CC(C)C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
LNPEP Q9UIQ6 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
ALOX5 P09917 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TLR8 Q9NR97 8/20 0.35
GPR3 P46089 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL3421494 0.93 TLR8 (0.34) HTR2ALNPEPTYRTLR8
SCHEMBL3423672 0.91 LNPEP (0.38) HTR2ALNPEPCYP3A4MAPTMEN1
SCHEMBL3425275 0.86
SCHEMBL3426880 0.84 TYR (0.37) HTR2ALNPEPCYP3A4MAPTMEN1
SCHEMBL19118684 0.84 SKP2 (0.35) HTR2ALNPEPTLR8
SCHEMBL3396572 0.77 SKP2 (0.37) TYRTLR8
SCHEMBL3400159 0.77
SCHEMBL1499470 0.75 GABRA1 (0.32) KDM4EALDH1A1
SCHEMBL28211164 0.75 TYR (0.47) HTR2ACYP3A4MAPTMEN1TP53
SCHEMBL3425705 0.70 FBP1 (0.31)

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
EP-2245123-B1 METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS CHEMTURA CORP (US) 2017-07-19 EP disclosed
US-8563489-B2 Alkylated 1,3-benzenediamine compounds and methods for producing same CHEMTURA CORPORATION (US) 2013-10-22 US disclosed
EP-2245123-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME Chemtura Corporation (US) 2010-11-03 EP disclosed
WO-2009076091-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME LANXESS SOLUTIONS US INC. 2009-06-18 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-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME BBOX1, ABHD5, BRD1 HTR2A 1470/4885LNPEP 4809/4885CYP3A4 50/4885

“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.