SCHEMBL8568767

SCHEMBL8568767

CN(c1ccccc1)c1ccccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.45
TSHR P16473 3/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RCE1 Q9Y256 1/20 0.38
CHKA P35790 2/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LRRK2 Q5S007 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL2562366 0.79 TSHR (0.41) TSHRALDH1A1HTTKDM4EMAPT
SCHEMBL148781 0.79 ALDH1A1 (0.55) TSHRALDH1A1HTTKDM4EMAPT
SCHEMBL21151763 0.78 CHKA (0.36) HDAC6HTTKMT2AMEN1CHKA
SCHEMBL11669381 0.78 TSHR (0.57) HDAC6TSHRALDH1A1HTTKDM4E
SCHEMBL21020286 0.78 ALDH1A1 (0.41) HDAC6TSHRALDH1A1HTTKDM4E
SCHEMBL21020467 0.78 ALDH1A1 (0.41) HDAC6TSHRALDH1A1HTTKDM4E
SCHEMBL7155151 0.78 MEN1 (0.46) ALDH1A1HTTKMT2AMEN1HPGD
SCHEMBL28628553 0.77 TSHR (0.41) HDAC6TSHRALDH1A1HTTKDM4E
Iodide SCHEMBL31276096 0.77 ALDH1A1 (0.53) TSHRALDH1A1HTTKDM4EMAPT
SCHEMBL23637573 0.76 TSHR (0.39) TSHRALDH1A1HTTKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230403928-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-14 US disclosed
US-20200168819-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-28 US disclosed
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
CN-1035001-C Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1997-05-28 CN disclosed
CN-1088906-A The phenyl phenol leukotriene antagonists that replaces LILLY CO ELI (US) 1994-07-06 CN disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 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 (2 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-20230403928-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CYP2E1 HDAC6 4187/4885TSHR 3543/4885ALDH1A1 13/4885
US-20200168819-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CYP2E1 HDAC6 4187/4885TSHR 3543/4885ALDH1A1 13/4885

“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.