SCHEMBL912939

SCHEMBL912939

O=C=Nc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HIF1A Q16665 1/20 0.53
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 4/20 0.39
HSD17B10 Q99714 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
HSPB1 P04792 2/20 0.38
PTPRC P08575 1/20 0.38
S100A4 P26447 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MCL1 Q07820 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8103505 0.91 CYP3A4 (0.47) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL9339650 0.86 ALDH1A1 (0.49) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL8728355 0.85 ALDH1A1 (0.47) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL10184953 0.85 ALDH1A1 (0.51) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL11232668 0.81 GPR35 (0.50) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL1945604 0.79 TXNRD1 (0.42) ALDH1A1TSHRLMNATDP1HSD17B10
SCHEMBL1940462 0.79 HSD17B10 (0.56) ALDH1A1TSHRLMNATDP1HSD17B10
SCHEMBL374389 0.79 ALDH1A1 (0.56) ALDH1A1TSHRLMNATDP1HSD17B10
SCHEMBL8862330 0.77 TDP1 (0.52) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL697640 0.77 ALDH1A1 (0.58) ALDH1A1HIF1ATSHRLMNATDP1

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230116771-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2023-04-13 US disclosed
EP-3408271-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2023-01-11 EP disclosed
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2022-09-20 US disclosed
CN-108779127-B Maytansinoid derivatives, conjugates thereof, and methods of use 里珍纳龙药品有限公司 2022-07-05 CN disclosed
CN-114478801-A Maytansinoid derivatives, conjugates thereof, and methods of use 里珍纳龙药品有限公司 2022-05-13 CN disclosed
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2020-04-23 US disclosed
US-10463749-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2019-11-05 US disclosed
EP-3408271-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE Regeneron Pharmaceuticals, Inc. (US) 2018-12-05 EP disclosed
US-20180289834-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2018-10-11 US disclosed
US-9950076-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-5136868-A HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1992-08-11 US disclosed
US-4868321-A FOR HERBICIDES FMC CORPORATION (US) 1989-09-19 US disclosed
EP-0252982-A4 HERBICIDAL 1-ARYL-4-SUSTITUTTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1988-08-17 EP disclosed
EP-0252982-A1 HERBICIDAL 1-ARYL-4-SUSTITUTTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1988-01-20 EP disclosed
CN-86108880-A 1-aryl-4 substituting group-1,4-dihydro-5H-tetrazolium-5-ketone and sulfur analogs weedicide thereof 1987-07-22 CN disclosed
WO-1987003873-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1987-07-02 WO disclosed
EP-0015110-B1 ANTICOCCIDIAL COMPOSITION, CARBANILIDES AND METHOD OF PREPARING THEM ELI LILLY AND COMPANY (US) 1985-08-21 EP disclosed
US-4526997-A Amino, nitro, fluoro substituted carbanilides DOHERTY GEORGE O P O 1985-07-02 US disclosed
US-4468380-A Anticoccidial combinations comprising polyether antibiotics and carbanilides ELI LILLY AND COMPANY (US) 1984-08-28 US disclosed
EP-0015110-A2 Anticoccidial composition, carbanilides and method of preparing them ELI LILLY AND COMPANY (US) 1980-09-03 EP 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 (5 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-10463749-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885HIF1A 996/4885TSHR 1129/4885
US-20230116771-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885HIF1A 996/4885TSHR 1129/4885
US-20180289834-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885HIF1A 996/4885TSHR 1129/4885
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885HIF1A 996/4885TSHR 1129/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885HIF1A 996/4885TSHR 1129/4885

“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.