SCHEMBL21855459

SCHEMBL21855459

O=[N+]([O-])c1cnn2c(O)nc(-c3cncc(F)c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
XDH P47989 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
ALDH1A1 P00352 3/20 0.32
ERN1 O75460 1/20 0.31
MAPT P10636 1/20 0.31
AHR P35869 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
LMNA P02545 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
TTR P02766 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL21855500 0.86 POLB (0.33) POLBL3MBTL1ALDH1A1MAPTAHR
SCHEMBL21855501 0.79 AHR (0.35) AHRHCAR2CYP17A1CYP3A4CYP11B1
SCHEMBL20542249 0.79 CYP11B2 (0.36) ALDH1A1MAPTAHRHCAR2CYP17A1
SCHEMBL30579319 0.79 CYP11B2 (0.36) ALDH1A1MAPTAHRHCAR2CYP17A1
SCHEMBL21855486 0.79 CYP11B2 (0.33) MAPTAHRHCAR2CYP17A1CYP3A4
SCHEMBL20557838 0.76 AHR (0.33) AHRCYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL20557960 0.76 AHR (0.33) AHRCYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL30579373 0.76 AHR (0.33) AHRCYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL20558149 0.76 AHR (0.49) AHRCYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL21855466 0.71 HRH4 (0.38) L3MBTL1ALDH1A1AHRCYP11B1CYP11B2

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
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
CN-113272305-A Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2021-08-17 CN disclosed
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 POLB 4041/4885L3MBTL1 3603/4885XDH 631/4885

“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.