SCHEMBL2905965

SCHEMBL2905965

O=C(NO)c1ccc(NC(=O)[C@H](Cc2ccc(C(F)(F)F)cc2)NC(=O)c2cncc(Br)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.52
HDAC1 Q13547 3/20 0.49
KDM1A O60341 1/20 0.49
USP30 Q70CQ3 5/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 3/20 0.45
ROCK2 O75116 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
ROCK1 Q13464 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
CASP3 P42574 3/20 0.44
HDAC4 P56524 2/20 0.44

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
SCHEMBL2905961 1.00 CTSL (0.52) CTSLHDAC1KDM1AUSP30ALDH1A1
SCHEMBL2905546 0.88 CTSL (0.60) CTSLHDAC1USP30ALDH1A1MAPT
SCHEMBL2905549 0.88 CTSL (0.60) CTSLHDAC1USP30ALDH1A1MAPT
SCHEMBL2903093 0.84 CTSL (0.53) CTSLHDAC1ALDH1A1MAPTMAPK1
SCHEMBL2903098 0.84 CTSL (0.53) CTSLHDAC1ALDH1A1MAPTMAPK1
SCHEMBL2905746 0.84 CTSL (0.53) CTSLHDAC1ALDH1A1MAPTMAPK1
SCHEMBL2905530 0.81 USP30 (0.50) CTSLHDAC1USP30MAPTHDAC3
SCHEMBL2905526 0.81 USP30 (0.50) CTSLHDAC1USP30MAPTHDAC3
SCHEMBL2909283 0.74 HDAC8 (0.53) HDAC1MAPTHDAC3HDAC8HDAC6
SCHEMBL2905625 0.73 HDAC8 (0.62) CTSLHDAC1USP30HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763507-B1 ALPHA-AMINO ACID DERIVATES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 2010-08-11 EP claimed
US-7635788-B2 Alpha-amino acid derivatives with antiinflammatory activity ITALFARMACO SPA (IT) 2009-12-22 US claimed
US-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity ITALFARMACO SPA (IT) 2008-03-27 US claimed
EP-1763507-B1 ALPHA-AMINO ACID DERIVATES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 2010-08-11 EP disclosed
US-7635788-B2 Alpha-amino acid derivatives with antiinflammatory activity ITALFARMACO SPA (IT) 2009-12-22 US disclosed
US-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity ITALFARMACO SPA (IT) 2008-03-27 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-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity TNF, NFKBIA, IFNG CTSL 321/4885HDAC1 3360/4885KDM1A 3101/4885

“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.