SCHEMBL8083405

SCHEMBL8083405

Cc1cc2c(cc1[N+](=O)[O-])C(=O)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
AKR1B1 P15121 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
TERT O14746 1/20 0.37
GPR35 Q9HC97 1/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL28991097 0.81 ATM (0.40) POLBAKR1B1ALDH1A1CYP3A4MAPT
SCHEMBL9818957 0.79 PBRM1 (0.48) POLBAKR1B1TSHRALDH1A1CYP3A4
SCHEMBL31358695 0.79 IMPDH2 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19627183 0.79 IMPDH2 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1028694 0.74 MAPT (0.62) POLBTSHRALDH1A1CYP3A4RECQL
SCHEMBL5977699 0.74 MAPT (0.62) POLBTSHRALDH1A1CYP3A4RECQL
SCHEMBL8302706 0.74 MMP12 (0.51) POLBAKR1B1ALDH1A1MAPTLMNA
SCHEMBL4070655 0.73 ALDH1A1 (0.37) AKR1B1TSHRALDH1A1CYP3A4RECQL
SCHEMBL30601566 0.73 MAPT (0.37) POLBALDH1A1TERTMAPTSMN1; SMN2
SCHEMBL22438910 0.73 MAPT (0.37) POLBALDH1A1TERTMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 POLB 4471/4885AKR1B1 2436/4885TSHR 3312/4885

“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.