SCHEMBL16628624

SCHEMBL16628624

C1=CSCS1.c1ccc(Nc2ccccc2Oc2ncncn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.38
CYP2D6 P10635 8/20 0.38
CYP2C19 P33261 8/20 0.38
CYP3A4 P08684 8/20 0.38
HSD17B10 Q99714 5/20 0.38
ALOX15 P16050 4/20 0.38
LMNA P02545 3/20 0.38
AURKA O14965 2/20 0.37
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 3/20 0.33
CLK4 Q9HAZ1 2/20 0.33
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
GLA P06280 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
SCHEMBL16628474 0.79 BCL6 (0.41) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL9325233 0.75 BCL6 (0.49) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16628623 0.70 TDP1 (0.42) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL9137301 0.66 TSHR (0.56) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL108195 0.64 LTA4H (0.50) CYP1A2CYP2C19LMNAALDH1A1MAPT
SCHEMBL6324623 0.63 TSHR (0.49) HSD17B10LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL28848009 0.62 MAPT (0.47) CYP1A2CYP2C19CYP3A4ALOX15LMNA
SCHEMBL28102301 0.62 SMN1; SMN2 (0.52) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL5346421 0.62 GAA (0.49) CYP3A4HSD17B10ALOX15LMNAALDH1A1
SCHEMBL6267053 0.62 LCK (0.39) CYP1A2CYP2C19CYP3A4LMNAMAPT

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 CYP1A2 1014/4885CYP2D6 1656/4885CYP2C19 2319/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM CYP1A2 2298/4885CYP2D6 4546/4885CYP2C19 4298/4885
US-10385076-B2 Surface treatment agent and novel compound EPCAM, MET, ITGAM CYP1A2 2298/4885CYP2D6 4546/4885CYP2C19 4298/4885

“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.