SCHEMBL13101021

SCHEMBL13101021

CC(C)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HIF1A Q16665 1/20 0.52
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.41
ACHE P22303 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 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
SCHEMBL30309507 1.00 ALDH1A1 (0.52) ALDH1A1HIF1AHPGDNPSR1MCOLN3
SCHEMBL27889278 0.86 ALDH1A1 (0.49) ALDH1A1HIF1AHPGDNPSR1MCOLN3
SCHEMBL31506366 0.85 ALDH1A1 (0.56) ALDH1A1HIF1AHPGDNPSR1MCOLN3
SCHEMBL3641932 0.85 ALDH1A1 (0.56) ALDH1A1HIF1AHPGDNPSR1MCOLN3
SCHEMBL15076678 0.83 ALDH1A1 (0.53) ALDH1A1HIF1AHPGDTSHRTDP1
SCHEMBL11526155 0.82 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1MCOLN3TSHR
SCHEMBL16216330 0.82 AKR1C3 (0.52) ALDH1A1HIF1AKMT2AGAALMNA
SCHEMBL16207559 0.82 AKR1C3 (0.52) ALDH1A1HIF1AKMT2AGAALMNA
SCHEMBL6098967 0.81 ALDH1A1 (0.47) ALDH1A1HIF1ATSHRTDP1CYP3A4
SCHEMBL9735630 0.79 PDK1 (0.55) ALDH1A1HIF1AHPGDNPSR1MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087188-A1 5,6-DIHYDRO-1 1H-INDOLO{2,3-B}QUINOLIN- 11-ONE COMPOUNDS AS ALK INHIBITORS The Regents oof the University of Michigan (US) 2021-03-25 US disclosed
CN-110294750-A 5,6- dihydro -11H- indoles as ALK inhibitor simultaneously [2,3-B] quinoline -11- ketone compound 密执安州立大学董事会 2019-10-01 CN disclosed
WO-2019179482-A1 5, 6-DIHYDRO-11H-INDOLO [2, 3-B] QUINOLIN-11-ONE COMPOUNDS AS ALK INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-09-26 WO disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 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 (3 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-20210087188-A1 5,6-DIHYDRO-1 1H-INDOLO{2,3-B}QUINOLIN- 11-ONE COMPOUNDS AS ALK INHIBITORS ALK, KRAS, ABL1 ALDH1A1 108/4885HIF1A 2877/4885HPGD 4430/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885HIF1A 1114/4885HPGD 3950/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 ALDH1A1 2721/4885HIF1A 2765/4885HPGD 3576/4885

“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.