SCHEMBL4144086

SCHEMBL4144086

O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)NCC1CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.60
CES1 P23141 1/20 0.55
RXFP1 Q9HBX9 1/20 0.52
ACHE P22303 3/20 0.49
ALDH1A1 P00352 9/20 0.47
ALDH3A1 P30838 6/20 0.47
ALDH2 P05091 4/20 0.47
GAA P10253 1/20 0.45
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
MAP2K1 Q02750 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL29349059 0.78 ACHE (0.60) CUL4ACES1ACHEALDH1A1ALDH3A1
SCHEMBL31238759 0.78 CUL4A (0.58) CUL4ACES1RXFP1ACHEALDH1A1
SCHEMBL15571751 0.75 CUL4A (1.00) CUL4ACES1ACHEALDH1A1ALDH3A1
SCHEMBL21001776 0.73 ACHE (0.57) CUL4ACES1ACHEALDH1A1ALDH3A1
SCHEMBL4624674 0.72 CUL4A (0.68) CUL4ACES1ACHEALDH1A1ALDH3A1
SCHEMBL12674685 0.70 ALDH1A1 (0.76) CUL4ACES1RXFP1ACHEALDH1A1
SCHEMBL22667286 0.69 CUL4A (0.68) CUL4ACES1ACHEALDH1A1ALDH3A1
SCHEMBL30403461 0.69 CUL4A (0.68) CUL4ACES1ACHEALDH1A1ALDH3A1
SCHEMBL29220077 0.68 ALDH1A1 (0.67) CUL4ACES1ACHEALDH1A1ALDH3A1
SCHEMBL13196466 0.67 CUL4A (0.43) CUL4ACES1ACHEALDH1A1ALDH3A1

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
US-20090220554-A1 Transglutaminase Inhibitors and Methods of Use Thereof PHARMIX CORPORATION 2009-09-03 US disclosed
US-20090220554-A1 Transglutaminase Inhibitors and Methods of Use Thereof PHARMIX CORPORATION 2009-09-03 US disclosed
US-20090220554-A1 Transglutaminase Inhibitors and Methods of Use Thereof PHARMIX CORPORATION 2009-09-03 US disclosed
EP-1954285-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF Alvine Pharmaceuticals, Inc. (US) 2008-08-13 EP disclosed
WO-2007050795-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF ALVINE PHARMACEUTICALS, INC. (US) 2007-05-03 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-20090220554-A1 Transglutaminase Inhibitors and Methods of Use Thereof TGM2, TGM3, TGM1 CUL4A 4072/4885CES1 364/4885RXFP1 4160/4885

“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.