SCHEMBL418095

SCHEMBL418095

CC(C)(C)c1ccccc1C(=O)NN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.53
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 5/20 0.47
P2RX7 Q99572 1/20 0.47
GAA P10253 5/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
MITF O75030 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
TSHR P16473 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GFER P55789 2/20 0.39

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
SCHEMBL28172418 0.86 CTSD (0.47) CTSDCA2CA1CA9ALDH1A1
SCHEMBL24141996 0.84 TSHR (0.42) CA2CA1CA9ALDH1A1GAA
SCHEMBL8104116 0.82 GAA (0.55) CA2ALDH1A1GAALMNATDP1
SCHEMBL24925442 0.82 GAA (0.67) CA1CA9ALDH1A1GAALMNA
SCHEMBL28172417 0.82 MAPT (0.46) CTSDCA2CA1CA9ALDH1A1
SCHEMBL10946343 0.81 LMNA (0.43) ALDH1A1GAALMNATDP1TSHR
SCHEMBL7223846 0.81 L3MBTL1 (0.49) CA1CA9ALDH1A1GAALMNA
SCHEMBL1128084 0.81 LMNA (0.70) CTSDCA2CA1CA9ALDH1A1
SCHEMBL14726030 0.80 GAA (0.46) ALDH1A1GAALMNATDP1TSHR
SCHEMBL16473851 0.80 TSHR (0.45) ALDH1A1GAALMNATSHRITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018149419-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2018-08-23 WO disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20110046101-A1 BATE-LACTAMASE INHIBITORS DMITRIENKO GARY I 2011-02-24 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-7141106-B2 Ink jet printing composition comprising a dye containing hydrazine or hydrazide FUJIFILM IMAGING COLORANTS LIMITED (GB) 2006-11-28 US disclosed
US-20040134382-A1 Ink jet printing composition comprising a dye containing hydrazine or hydrazide FUJIFILM IMAGING COLORANTS LIMITED (GB) 2004-07-15 US disclosed
WO-2002070609-A1 INK JET PRINTING COMPOSITION COMPRISING A DYE CONTAINING HYDRAZINE OR HYDRAZIDE AVECIA LIMITED (GB) 2002-09-12 WO disclosed
EP-0361645-B1 ORGANIC HYDRAZINE DERIVATIVES FOR PHARMACEUTICAL USE ROHM AND HAAS COMPANY (US) 1993-09-29 EP disclosed
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 EP disclosed
EP-0361645-A2 Organic hydrazine derivatives for pharmaceutical use ROHM AND HAAS COMPANY (US) 1990-04-04 EP 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 (3 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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 CTSD 2003/4885CA2 1079/4885CA1 759/4885
US-20110046101-A1 BATE-LACTAMASE INHIBITORS OXA1L, MGAM, PREP CTSD 349/4885CA2 2165/4885CA1 2889/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 CTSD 2003/4885CA2 1079/4885CA1 759/4885

“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.