SCHEMBL862381

SCHEMBL862381

Cc1cc(CN(CC(=O)O)CC(=O)O)nc(CN(CCCCCCNC(=S)Nc2ccc(SC#N)cc2)Cc2cc(C)cc(CN(CC(=O)O)CC(=O)O)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 7/20 0.36
HTT P42858 6/20 0.36
RAD52 P43351 3/20 0.36
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GLA P06280 1/20 0.36
LMNA P02545 5/20 0.35
MAPT P10636 6/20 0.34
ALOX12 P18054 1/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 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
SCHEMBL12049094 0.91 ALDH1A1 (0.40) NPC1RAB9AKDM4EHTTALDH1A1
SCHEMBL862379 0.73 LMNA (0.36) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL10044304 0.70 ALDH1A1 (0.33) ALDH1A1MAPTCA2
SCHEMBL862393 0.69 BCHE (0.35) KDM4ELMNAGAAMAPK1TDP1
SCHEMBL862339 0.69 CXCR4 (0.35) ALDH1A1MEN1KMT2ALMNA
SCHEMBL20194104 0.69 KDM4A (0.52) NPC1RAB9AKDM4EHTTALDH1A1
SCHEMBL10014300 0.68 FFAR1 (0.35) ALDH1A1MAPTCA2
SCHEMBL21338327 0.68 LMNA (0.51) HTTALDH1A1MEN1KMT2AGLA
SCHEMBL11303647 0.66 TDP1 (0.38) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL13601031 0.66 CXCR4 (0.34)

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
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 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-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 NPC1 3090/4885RAB9A 4251/4885KDM4E 3409/4885

“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.