SCHEMBL5728002

SCHEMBL5728002

O=Cc1cc(C(=O)CBr)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.39
PTPN1 P18031 6/20 0.39
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
HTT P42858 1/20 0.35
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
RAB9A P51151 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
SCHEMBL12652327 0.81 BRD4 (0.51) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL1081337 0.81 ALDH1A1 (0.51) GSK3BMEN1ALDH1A1MAPTKMT2A
SCHEMBL1079476 0.76 NOTUM (0.54) ALDH1A1MAPTTDP1
SCHEMBL9921966 0.75 CDC7 (0.43) MEN1ALDH1A1MAPTKMT2AHTT
SCHEMBL6968268 0.75 NOTUM (0.38) MEN1MAPTKMT2ARAB9A
SCHEMBL1080862 0.71 MEN1 (0.36) MEN1KMT2ANPSR1BAZ2BBAZ2A
SCHEMBL2406445 0.70 ALDH1A1 (0.47) ALDH1A1GAANFKB1NFKB2RELA
SCHEMBL16329647 0.70 CA12 (0.47) MEN1ALDH1A1MAPTKMT2ARAB9A
SCHEMBL9788937 0.68 ALDH1A1 (0.37) ALDH1A1MAPTKMT2AGAATDP1
SCHEMBL6543881 0.67 GSK3B (0.59) GSK3BPTPN1

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-7105563-B2 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed
EP-1680401-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Schering Aktiengesellschaft (DE) 2006-07-19 EP disclosed
WO-2005040116-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-06 WO disclosed
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 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-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer PDK3, PDK2, PDK4 GSK3B 523/4885PTPN1 2660/4885MEN1 862/4885

“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.