SCHEMBL20172898

SCHEMBL20172898

CCc1ccccc1N(C)c1cccc2c1sc1c(C#N)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PDE10A Q9Y233 1/20 0.34
TSHR P16473 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
HTT P42858 1/20 0.33
NR3C1 P04150 1/20 0.32
GALR3 O60755 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL21020014 0.90 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EGAACA1
SCHEMBL20172896 0.86 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EGAACA1
SCHEMBL20650389 0.86 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EGAACA1
SCHEMBL21020007 0.85 CYP2D6 (0.38) ALDH1A1MAPTKDM4ETSHRMEN1
SCHEMBL20172904 0.83 TSHR (0.42) ALDH1A1MAPTKDM4EGAACA1
SCHEMBL20172897 0.82 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EGAACA1
SCHEMBL20172884 0.81 TP53 (0.36) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20172887 0.81 ALDH1A1 (0.35) ALDH1A1MAPTKDM4ETSHRNPSR1
SCHEMBL21020467 0.81 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EGAACA1
SCHEMBL21020469 0.81 KDM4E (0.37) ALDH1A1MAPTKDM4EGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 ALDH1A1 87/4885MAPT 754/4885KDM4E 1258/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ALDH1A1 1103/4885MAPT 1486/4885KDM4E 517/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ALDH1A1 87/4885MAPT 754/4885KDM4E 1258/4885

“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.