SCHEMBL16628856

SCHEMBL16628856

Sc1nc(S)nc(Nc2ccccc2Nc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46
NFKB1 P19838 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
RECQL P46063 2/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL1152315 0.88 MAPT (0.57) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL29528529 0.86 MAPT (0.55) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL1151631 0.86 MAPT (0.55) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL11364527 0.86 MAPT (0.55) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL16628855 0.84 MAPK1 (0.54) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL11223213 0.84 MEN1 (0.63) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL23630435 0.77 TSHR (0.67) MAPTKMT2AKDM4EALDH1A1TSHR
SCHEMBL30202205 0.77 TSHR (0.67) MAPTKMT2AKDM4EALDH1A1TSHR
SCHEMBL8633131 0.77 HTT (0.51) KMT2AALDH1A1CYP3A4NFKB1LMNA
SCHEMBL444976 0.76 MAPT (0.70) MEN1MAPTKMT2AKDM4EGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505522-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2020-10-14 EP disclosed
US-10385076-B2 Surface treatment agent and novel compound Mori, Kunio (JP) 2019-08-20 US disclosed
EP-3505522-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2019-07-03 EP disclosed
EP-2859962-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2019-01-23 EP disclosed
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US disclosed
US-9790242-B2 Surface treatment method, surface treatment agent, and novel compound Mori, Kunio (JP) 2017-10-17 US disclosed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 US disclosed
EP-2859962-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-04-15 EP 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 (3 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-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND EPCAM, ITGAM, MET MEN1 1048/4885MAPT 2103/4885KMT2A 330/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM MEN1 857/4885MAPT 2081/4885KMT2A 502/4885
US-10385076-B2 Surface treatment agent and novel compound EPCAM, MET, ITGAM MEN1 857/4885MAPT 2081/4885KMT2A 502/4885

“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.