SCHEMBL3428404

SCHEMBL3428404

Nc1cc(C2CCCCC2)c(Cc2ccco2)c(N)c1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.39
CHRNA7 P36544 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNA3 P32297 1/20 0.32
HTR3A P46098 1/20 0.32
PNP P00491 1/20 0.32
ALDH1A1 P00352 4/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4538161 0.99 USP2 (0.37) USP2CHRNA7CHRNA1CHRNA3HTR3A
SCHEMBL3395390 0.84 USP2 (0.44) USP2CHRNA7CHRNA1CHRNA3HTR3A
SCHEMBL4538488 0.83 USP2 (0.42) USP2CHRNA7CHRNA1CHRNA3HTR3A
SCHEMBL4530176 0.79 ALOX5AP (0.35) USP2ALDH1A1HPGDLMNANPSR1
SCHEMBL19119097 0.79 USP2 (0.40) USP2CHRNA7CHRNA1CHRNA3HTR3A
SCHEMBL3395169 0.78 ALOX5AP (0.36) LMNASMN1; SMN2
SCHEMBL3427563 0.76 USP2 (0.40) USP2CHRNA7CHRNA1CHRNA3HTR3A
SCHEMBL3425985 0.75 CNR1 (0.35) TDO2
SCHEMBL3392968 0.73 CNR1 (0.33) TDO2
SCHEMBL3424739 0.72 CNR1 (0.35) TDO2

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 USP2 1584/4885CHRNA7 2170/4885CHRNA1 1604/4885

“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.