SCHEMBL4538488

SCHEMBL4538488

Nc1c(Cc2ccco2)c(C2CCCC2)c(Cc2ccco2)c(N)c1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.42
PNP P00491 2/20 0.36
ALDH1A1 P00352 8/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TRPV6 Q9H1D0 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
LTA4H P09960 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL3395390 0.98 USP2 (0.44) USP2PNPALDH1A1HPGDSMN1; SMN2
SCHEMBL19119097 0.89 USP2 (0.40) USP2PNPALDH1A1HPGDSMN1; SMN2
SCHEMBL3427563 0.84 USP2 (0.40) USP2PNPALDH1A1HPGDSMN1; SMN2
SCHEMBL4538161 0.84 USP2 (0.37) USP2PNPALDH1A1HPGDSMN1; SMN2
SCHEMBL3428404 0.83 USP2 (0.39) USP2PNPALDH1A1HPGDSMN1; SMN2
SCHEMBL4527677 0.74 GABRA1 (0.38) NPSR1
SCHEMBL1499291 0.73 GABRA1 (0.38) USP2ALDH1A1HPGDLMNANPSR1
SCHEMBL1498698 0.69 PNP (0.44) USP2PNPALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL28167008 0.66 PNP (0.42) USP2PNPALDH1A1HPGDGAA
SCHEMBL3428803 0.65 NOS3 (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 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 USP2 1584/4885PNP 2024/4885ALDH1A1 318/4885

“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.