SCHEMBL15822385

SCHEMBL15822385

COC(=O)c1c(C)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
NR1H4 Q96RI1 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
GPR35 Q9HC97 2/20 0.42
CYP3A4 P08684 2/20 0.42
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL5787676 0.90 NR1H4 (0.52) ALDH1A1NR1H4KMT2AMEN1SMN1; SMN2
SCHEMBL27484194 0.89 MEN1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL5628051 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL15822246 0.82 ALDH1A1 (0.50) ALDH1A1NR1H4KMT2ASMN1; SMN2MAPT
SCHEMBL9694074 0.81 CYP3A4 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
2-Mercaptoethanol SCHEMBL9661098 0.81 NR1H4 (0.45) ALDH1A1NR1H4KMT2AMEN1SMN1; SMN2
SCHEMBL18878093 0.78 KMT2A (0.46) ALDH1A1KMT2AMEN1GAAHTT
SCHEMBL22081952 0.78 RORC (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL29278892 0.78 MEN1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL13613681 0.78 GAA (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US disclosed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 EP disclosed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US disclosed
EP-2935211-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-28 EP disclosed
WO-2014097140-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-26 WO 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-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 ALDH1A1 2019/4885NR1H4 987/4885KMT2A 2092/4885

“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.