SCHEMBL3961865

SCHEMBL3961865

Cc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SYK P43405 1/20 0.35
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
POLB P06746 2/20 0.32
CYP3A4 P08684 1/20 0.32
TXNRD1 Q16881 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL30176181 1.00 MAPT (0.35) MAPTLMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL20741526 0.94 TSHR (0.34) MAPTLMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL16732970 0.80 TSHR (0.41) MAPTLMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL13910167 0.78 SMN1; SMN2 (0.35) MAPTLMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL25336107 0.77 NPC1 (0.33) SMN1; SMN2TSHRALDH1A1HTTPOLB
SCHEMBL20580580 0.77 SSTR4 (0.38) MAPTLMNASMN1; SMN2KDM4ESYK
SCHEMBL20741559 0.77 SYK (0.37) SYK
SCHEMBL30176186 0.77 SYK (0.37) SYK
SCHEMBL29989013 0.77 SYK (0.37) SYK
SCHEMBL16084452 0.77 HCAR3 (0.39) L3MBTL1SYKNPSR1TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555026-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-01-17 US disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 US disclosed
EP-3668496-A1 AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-06-24 EP disclosed
WO-2019036657-A1 AHR INHIBITORS AND USES THEREOF KYN THERAPEUTICS (US) 2019-02-21 WO disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 WO disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 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 (6 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-11555026-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 MAPT 4714/4885LMNA 4108/4885SMN1; SMN2 4882/4885
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 MAPT 4714/4885LMNA 4108/4885SMN1; SMN2 4882/4885
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY5, ADCY2 MAPT 4758/4885LMNA 4108/4885SMN1; SMN2 4433/4885
US-10696650-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 MAPT 4714/4885LMNA 4108/4885SMN1; SMN2 4882/4885
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 MAPT 4714/4885LMNA 4108/4885SMN1; SMN2 4882/4885
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE RB1, F2, SFPQ MAPT 4798/4885LMNA 2666/4885SMN1; SMN2 3586/4885

“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.