SCHEMBL7130694

SCHEMBL7130694

CCCCC/N=C1\C(=O)Nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
LRRK2 Q5S007 9/20 0.50
IDO1 P14902 3/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 2/20 0.49
GFER P55789 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.46
TTR P02766 1/20 0.46
MAPT P10636 1/20 0.46
AGTR1 P30556 3/20 0.46
TDO2 P48775 1/20 0.46
GALR3 O60755 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOA P21397 1/20 0.43

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
SCHEMBL7067150 1.00 CA1 (0.52) CA1CA2CA4CA7LRRK2
SCHEMBL1491241 0.75 LRRK2 (0.53) CA1CA2CA4CA7LRRK2
SCHEMBL1491242 0.75 LRRK2 (0.53) CA1CA2CA4CA7LRRK2
SCHEMBL7740292 0.73 LRRK2 (0.62) LRRK2IDO1KMT2AMEN1GAA
SCHEMBL14405656 0.73 LRRK2 (0.62) LRRK2IDO1KMT2AMEN1GAA
SCHEMBL12804786 0.73 LRRK2 (0.67) LRRK2IDO1KMT2AMEN1GAA
SCHEMBL12971379 0.73 LRRK2 (0.67) LRRK2IDO1KMT2AMEN1GAA
SCHEMBL12804785 0.73 LRRK2 (0.67) LRRK2IDO1KMT2AMEN1GAA
SCHEMBL28915857 0.72 LRRK2 (0.53) CA1CA2CA4CA7LRRK2
SCHEMBL7745690 0.72 LRRK2 (0.53) LRRK2IDO1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828342-B2 Isatin derivatives, pharmaceutical compositions thereof, and methods of use thereof CITY OF HOPE (US) 2017-11-28 US disclosed
US-8877946-B2 Benzylidene-indolinone compounds and their medical use NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-04 US disclosed
US-20130225637-A1 ISATIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-08-29 US disclosed
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-02-07 US disclosed
EP-0818193-B1 Quaternized blue anthraquinone hair dyes in an isatin/amine dye system CLAIROL INC (US) 2003-05-28 EP disclosed
US-5746779-A Quaternized blue anthraqinone hair dyes in an isatin/amine dye system BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 US disclosed
EP-0818193-A2 Quaternized blue anthraquinone hair dyes in an isatin/amine dye system Bristol-Myers Squibb Company (US) 1998-01-14 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 (2 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-20130225637-A1 ISATIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE THEREOF JAK2, ERBB2, CDC25C CA1 2208/4885CA2 2006/4885CA4 3783/4885
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE ERBB2, ABL1, IGF1R CA1 4667/4885CA2 3307/4885CA4 4083/4885

“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.