SCHEMBL14804178

SCHEMBL14804178

CCc1ccc(N2CCC(C#N)CC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.44
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TSHR P16473 1/20 0.38
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PARP1 P09874 1/20 0.35
KCNH2 Q12809 1/20 0.35
RORC P51449 2/20 0.35

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
SCHEMBL10264013 0.82 GAA (0.46) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL22860580 0.82 GAA (0.49) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL10263954 0.80 GAA (0.44) KDM4EGAAHPGDSMN1; SMN2MAPT
SCHEMBL10264240 0.80 GAA (0.44) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL8373055 0.80 MAPT (0.56) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL1665681 0.79 L3MBTL1 (0.57) KDM4EGAAHPGDSMN1; SMN2MAPT
SCHEMBL10263986 0.79 GAA (0.43) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL8375228 0.79 L3MBTL3 (0.46) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL8430119 0.79 ALDH1A1 (0.57) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL21266990 0.78 GAA (0.45) GAAHPGDSMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765764-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2014-07-01 US disclosed
US-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA, INC. (JP) 2013-03-28 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-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 KDM4E 1499/4885GAA 3757/4885HPGD 4041/4885

“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.