SCHEMBL4530176

SCHEMBL4530176

Nc1cc(C2CCCCC2)c(Cc2ccccc2)c(N)c1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.35
FEN1 P39748 4/20 0.35
NUDT1 P36639 1/20 0.34
BACE1 P56817 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CCR2 P41597 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP19A1 P11511 1/20 0.33
CCR5 P51681 1/20 0.32
CDC7 O00311 1/20 0.32
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL3395169 0.99 ALOX5AP (0.36) ALOX5APFEN1NUDT1BACE1GABRA1
SCHEMBL1499291 0.82 GABRA1 (0.38) GABRA1GABRG2GABRB3CCR2RAB9A
SCHEMBL4527677 0.81 GABRA1 (0.38) GABRA1GABRG2GABRB3CCR2RAB9A
SCHEMBL3425985 0.79 CNR1 (0.35) NUDT1BACE1
SCHEMBL3428404 0.79 USP2 (0.39) NPSR1LMNAUSP2HPGDHSD17B10
SCHEMBL4538161 0.77 USP2 (0.37) NPSR1LMNAUSP2HPGDHSD17B10
SCHEMBL3392968 0.77 CNR1 (0.33) NUDT1BACE1
SCHEMBL1499436 0.76 GABRA1 (0.36) GABRA1GABRG2GABRB3CCR2RAB9A
SCHEMBL3424739 0.75 CNR1 (0.35) NUDT1BACE1
SCHEMBL3400353 0.74 TDO2 (0.31) NUDT1BACE1

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 3 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
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 ALOX5AP 391/4885FEN1 1227/4885NUDT1 640/4885

“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.