SCHEMBL16737458

SCHEMBL16737458

CC/C(=C\c1ccc(Br)cn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TBXAS1 P24557 2/20 0.40
RAB9A P51151 5/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 2/20 0.37
CTH P32929 1/20 0.37
GBA1 P04062 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1914364 1.00 KDM4E (0.42) KDM4EALDH1A1L3MBTL1TBXAS1RAB9A
SCHEMBL15755442 0.81 TBXAS1 (0.49) KDM4EALDH1A1L3MBTL1TBXAS1
SCHEMBL1704854 0.81 TBXAS1 (0.49) KDM4EALDH1A1L3MBTL1TBXAS1
SCHEMBL1969309 0.81 KDM4E (0.41) KDM4EL3MBTL1TBXAS1MAPTMEN1
SCHEMBL1411072 0.80 KDM4E (0.50) KDM4EALDH1A1L3MBTL1TBXAS1RAB9A
SCHEMBL1411069 0.80 KDM4E (0.50) KDM4EALDH1A1L3MBTL1TBXAS1RAB9A
SCHEMBL1913983 0.79 TBXAS1 (0.38) KDM4EL3MBTL1TBXAS1
SCHEMBL30704239 0.76 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL1RAB9ATSHR
SCHEMBL26932631 0.76 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL1RAB9ATSHR
SCHEMBL26932725 0.76 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL1RAB9ATSHR

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
EP-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 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 (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-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN KDM4E 614/4885ALDH1A1 4035/4885L3MBTL1 3209/4885

“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.