SCHEMBL13081085

SCHEMBL13081085

C=C1C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.67
CES1 P23141 1/20 0.67
LRRK2 Q5S007 3/20 0.49
AGTR1 P30556 1/20 0.49
CCNB2 O95067 3/20 0.47
CDK1 P06493 3/20 0.47
CCNB1 P14635 3/20 0.47
CCNB3 Q8WWL7 3/20 0.47
HSP90AA1 P07900 2/20 0.47
RPS6KA3 P51812 1/20 0.47
CCR6 P51684 1/20 0.47
PLK4 O00444 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RET P07949 1/20 0.46
MAPT P10636 2/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
S100A4 P26447 1/20 0.42

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
SCHEMBL31107470 1.00 TGM2 (0.67) TGM2CES1LRRK2AGTR1CCNB2
SCHEMBL31107465 0.85 TGM2 (0.52) TGM2CES1LRRK2AGTR1S100A4
SCHEMBL30972546 0.84 TGM2 (0.77) TGM2CES1LRRK2AGTR1CCNB2
SCHEMBL136581 0.80 TGM2 (1.00) TGM2CES1LRRK2AGTR1S100A4
SCHEMBL29505404 0.80 TGM2 (1.00) TGM2CES1LRRK2AGTR1S100A4
SCHEMBL13058803 0.80 TGM2 (0.71) TGM2CES1LRRK2AGTR1CCNB2
Methane SCHEMBL28522344 0.78 TGM2 (0.96) TGM2CES1LRRK2AGTR1CCNB2
Water SCHEMBL8100148 0.78 TGM2 (0.96) TGM2CES1LRRK2AGTR1CCNB2
SCHEMBL24665688 0.78 TGM2 (0.68) TGM2CES1LRRK2AGTR1CCNB2
SCHEMBL13083522 0.77 TGM2 (0.67) TGM2CES1LRRK2AGTR1CCNB2

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
EP-2205657-B1 KETOPYRROLES AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2017-04-05 EP disclosed
US-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-25 US disclosed
US-7582756-B2 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone derivatives as protein kinase inhibitors SUGEN, INC. (US) 2009-09-01 US disclosed
US-20080045709-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS SUGEN, INC. 2008-02-21 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 (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-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, HTT, PARK7 TGM2 3663/4885CES1 4166/4885LRRK2 39/4885
US-20080045709-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP4K2, MAP4K3, CDK2 TGM2 2380/4885CES1 4186/4885LRRK2 291/4885

“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.