SCHEMBL116990

SCHEMBL116990

CC(c1ccccc1)N(N=[N+]=[N-])C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
MTOR P42345 1/20 0.38
CTSK P43235 3/20 0.35
AAK1 Q2M2I8 1/20 0.34
CTSS P25774 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
GABRA1 P14867 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5999653 0.84 ALOX5 (0.45) ALOX5CTSKCTSS
SCHEMBL12472432 0.78 POLB (0.44) ALDH1A1
SCHEMBL17610528 0.78 USP30 (0.31)
SCHEMBL2838090 0.77 NPSR1 (0.45) CTSSNPSR1
SCHEMBL873988 0.77
SCHEMBL873989 0.77
SCHEMBL30034373 0.76 MTOR (0.53) ALOX5MTORCTSKCTSS
SCHEMBL21798473 0.76 MTOR (0.53) ALOX5MTORCTSKCTSS
SCHEMBL16914053 0.75 ALOX5 (0.57) ALOX5MTOR
SCHEMBL6613322 0.74 ALOX5 (0.47) ALOX5MTORCTSKCTSSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 ALOX5 2859/4885MTOR 265/4885CTSK 688/4885

“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.