SCHEMBL13830570

SCHEMBL13830570

CN(/N=C/c1cc[n+](CCN)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.45
▸ KMT2A Q03164 10/20 0.45
▸ MAPT P10636 10/20 0.45
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ LMNA P02545 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MCL1 Q07820 1/20 0.40
▸ G6PC1 P35575 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL10037523 1.00 MEN1 (0.45) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL12668490 0.93 MEN1 (0.42) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL18087693 0.92 MEN1 (0.41) MEN1KMT2AMAPTSMN1; SMN2NPC1
Bromide SCHEMBL18074383 0.90 MAPT (0.42) MEN1KMT2AMAPTSMN1; SMN2NPC1
Bromide SCHEMBL18074379 0.90 MAPT (0.42) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2920143 0.89 MEN1 (0.46) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2920142 0.89 MEN1 (0.46) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2921302 0.89 ACHE (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2921507 0.89 ACHE (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1
Bromide SCHEMBL2923013 0.88 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1

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-8992633-B2 Disulfide dyes BASF SE (DE) 2015-03-31 — — US disclosed
US-20140157529-A1 DISULFIDE DYES BASF SE (DE) 2014-06-12 — — US disclosed
WO-2012150549-A1 DISULFIDE DYES BASF SE (DE) 2012-11-08 — — WO 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-20140157529-A1 DISULFIDE DYES KRT18, COL1A1, SULT1A1 MEN1 4833/4885KMT2A 2729/4885MAPT 1432/4885

“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.

Send feedback