SCHEMBL537401

SCHEMBL537401

COc1ncccc1-c1[nH]c2ccccc2c1C1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.47
TLR7 Q9NYK1 5/20 0.47
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HTR2A P28223 2/20 0.43
TLR9 Q9NR96 1/20 0.41
HTR2B P41595 2/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40

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
SCHEMBL537439 0.81 HTR2A (0.62) TLR8TLR7KMT2AMEN1HTR2A
SCHEMBL13172817 0.81 HTR2A (0.44) TLR8TLR7HTR2ATLR9
SCHEMBL537396 0.80 HTR2A (0.54) TLR8TLR7HTR2ATLR9
SCHEMBL537249 0.78 HTR2A (0.45) TLR8TLR7KMT2AKDM4EALDH1A1
SCHEMBL20016363 0.72 GAA (0.49) TLR8TLR7POLBKMT2AKDM4E
SCHEMBL18324682 0.70 KMT2A (0.45) TLR8TLR7KMT2AMEN1ALDH1A1
SCHEMBL18324684 0.69 TP53 (0.53) TP53POLBKMT2AMEN1ALDH1A1
SCHEMBL18324898 0.68 SMN1; SMN2 (0.49) POLBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL18324765 0.66 HTR2A (0.52) TLR8TLR7POLBHTR2A
SCHEMBL18324710 0.65 KDM4E (0.57) POLBKMT2AKDM4EALDH1A1HTR2A

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-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
EP-2414344-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114896-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
WO-2010114896-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS MKI67, CCNI, CDK4 TLR8 3823/4885TLR7 2976/4885TP53 15/4885

“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.