SCHEMBL29655446

SCHEMBL29655446

CC(C)(C)OC(=O)NCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 1/20 0.59
KAT2B Q92831 2/20 0.53
ALDH1A1 P00352 4/20 0.51
MALT1 Q9UDY8 1/20 0.50
BCHE P06276 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
BRD4 O60885 1/20 0.44

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
SCHEMBL2982740 1.00 NPC1 (0.59) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL30849526 0.93 ALDH1A1 (0.61) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL28905508 0.90 MAPT (0.52) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL21070371 0.89 NPC1 (0.51) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL29612659 0.89 NPC1 (0.51) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL30163655 0.88 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL2062578 0.87 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL2061925 0.86 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL19058464 0.84 NQO2 (0.46) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL22121203 0.84 KMT2A (0.47) NPC1RAB9AMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4710923-A2 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2026-03-18 EP disclosed
EP-3612030-B1 INDOLE AHR INHIBITORS AND USES THEREOF IKENA ONCOLOGY INC (US) 2025-12-24 EP disclosed
US-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2025-04-17 US disclosed
US-12077542-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-09-03 US disclosed
CN-118119598-A Medicine for treating human tumor by eRF3a targeting protein degradation mechanism 苏州德亘生物医药有限公司 2024-05-31 CN disclosed
CN-117801051-A Medicine for treating human tumor by eRF3a targeting protein degradation mechanism 苏州德亘生物医药有限公司 2024-04-02 CN disclosed
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 US disclosed
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 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 (4 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-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 NPC1 2267/4885RAB9A 4560/4885MAPT 4171/4885
US-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 NPC1 2267/4885RAB9A 4560/4885MAPT 4171/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 NPC1 2267/4885RAB9A 4560/4885MAPT 4171/4885
US-12077542-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 NPC1 2267/4885RAB9A 4560/4885MAPT 4171/4885

“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.