SCHEMBL9870898

SCHEMBL9870898

O=C=Nc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 3/20 0.39
LMNA P02545 1/20 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
GLA P06280 1/20 0.39
POLB P06746 1/20 0.38
PTPRC P08575 1/20 0.38
S100A4 P26447 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
PDE7A Q13946 1/20 0.37
GPR35 Q9HC97 2/20 0.37

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
SCHEMBL1945604 0.86 TXNRD1 (0.42) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL8862330 0.81 TDP1 (0.52) ALDH1A1TDP1TSHRLMNAHSD17B10
SCHEMBL5698334 0.80 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL546059 0.79 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL29471399 0.79 HSD17B10 (0.56) ALDH1A1TDP1TSHRLMNAHSD17B10
SCHEMBL1513945 0.79 HSD17B10 (0.56) ALDH1A1TDP1TSHRLMNAHSD17B10
SCHEMBL9339650 0.79 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL11641276 0.79 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL11878505 0.78 PLAU (0.54) ALDH1A1TDP1CYP3A4POLBMEN1
SCHEMBL11232668 0.77 GPR35 (0.50) ALDH1A1TDP1CYP3A4TSHRLMNA

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 23 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-4992471-A Fluorinated carboxanilide LILLY INDUSTRIES LIMITED (GB) 1991-02-12 US disclosed
US-4962284-A HERBICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1990-10-09 US disclosed
US-4826841-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
CN-87102456-A MOLLUSCICIDES 1987-09-30 CN disclosed
EP-0238351-A2 Molluscicides LILLY INDUSTRIES LIMITED (GB) 1987-09-23 EP disclosed
CN-86102262-A The preparation of N-alkane arginyl polyaniline and application thereof 1986-11-19 CN disclosed
EP-0197756-A2 Alkanoyl anilides ELI LILLY AND COMPANY (US) 1986-10-15 EP disclosed
EP-0197451-A2 Energy submetering system HONEYWELL INC. (US) 1986-10-15 EP disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 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 (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 331/4885TDP1 1076/4885CYP3A4 1482/4885
US-20230116771-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885TDP1 1076/4885CYP3A4 1482/4885
US-20180289834-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885TDP1 1076/4885CYP3A4 1482/4885
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885TDP1 1076/4885CYP3A4 1482/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885TDP1 1076/4885CYP3A4 1482/4885

“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.