SCHEMBL3728781

SCHEMBL3728781

O=C(Nc1cccc2c1CCCC2)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 4/20 0.57
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
TSHR P16473 2/20 0.57
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.52
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ADRA2A P08913 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL19475513 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL29808579 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL17894532 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL6627142 0.80 ALDH1A1 (0.65) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL6627140 0.80 ALDH1A1 (0.65) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL16268278 0.80 CD44 (0.45) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL19657599 0.79 SIGMAR1 (0.59) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL2357753 0.79 ALDH1A1 (0.63) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL5418295 0.79 ALDH1A1 (0.63) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL1638724 0.79 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 EP disclosed
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 WO disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000077027-A2 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2000-12-21 WO 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS ALDH1A1 4425/4885L3MBTL1 99/4885MEN1 490/4885

“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.