SCHEMBL21457567

SCHEMBL21457567

COC(=O)C=C(C#N)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PARP1 P09874 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 6/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL21457689 0.86 MAPT (0.46) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL21457430 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL21457347 0.84 HDAC8 (0.45) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL21457321 0.84 CES2 (0.54) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL21457230 0.84 P4HB (0.43) SMN1; SMN2MAPTMEN1KMT2APARP1
SCHEMBL21457324 0.84 AKR1C3 (0.41) SMN1; SMN2MEN1KMT2ANPSR1TDP1
SCHEMBL21457458 0.83 LOXL2 (0.44) SMN1; SMN2MEN1KMT2ANPSR1L3MBTL1
SCHEMBL21457279 0.83 ALDH1A1 (0.48) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL21457646 0.83 GSK3B (0.50) GAA
SCHEMBL21457444 0.83 NPC1 (0.49) SMN1; SMN2MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed
US-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2016-06-30 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-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS DCK, DPYD, PDCD1 SMN1; SMN2 2268/4885MAPT 996/4885LMNA 4180/4885

“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.