SCHEMBL10679792

SCHEMBL10679792

CN(C)c1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
TDP1 Q9NUW8 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
TP53 P04637 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
HCAR3 P49019 1/20 0.50
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL3885646 0.87 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL10691523 0.83 ALDH1A1 (0.58) ALDH1A1TP53HTTMAPTKDM4E
SCHEMBL7690599 0.83 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL29994274 0.82 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL11443974 0.82 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15TP53
Trimethylammonium SCHEMBL9860952 0.80 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL6228852 0.80 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL11819145 0.78 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL260006 0.78 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL10363029 0.78 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4ALOX15TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223299-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2025-07-10 US disclosed
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
CN-115645543-A Maytansinoid derivatives, conjugates thereof, and methods of use 里珍纳龙药品有限公司 2023-01-31 CN disclosed
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2022-08-18 US disclosed
US-10941115-B2 Kinase inhibitors OXULAR ACQUISITIONS LIMITED (GB) 2021-03-09 US disclosed
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-20190330155-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2019-10-31 US disclosed
EP-3273998-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2019-09-04 EP disclosed
US-10392346-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-08-27 US disclosed
US-10125100-B2 Kinase inhibitors RESPIVERT LIMITED 2018-11-13 US disclosed
US-4746658-A 2-phenyl-imidazo-pyrazines, -pyridazines and -triazines DR. KARL THOMAE GMBH (DE) 1988-05-24 US disclosed
US-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 US disclosed
US-4696931-A CARDIOVASCULAR DISORDERS, CARDIOTONIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-09-29 US disclosed
US-4656171-A 2-phenyl-imidazo-pyrazines, useful as cardiotonics DR. KARL THOMAE GMBH (DE) 1987-04-07 US disclosed
US-4582837-A Imidazo[4,5-b] and [4,5-c]pyridine derivatives having cardiotonic activity DR. KARL THOMAE GMBH (DE) 1986-04-15 US disclosed
EP-0149200-A1 Novel 2-pnenyl-imidazoles, their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 EP disclosed
EP-0148438-A2 Imidazole derivatives, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1985-07-17 EP disclosed
EP-0098448-A2 Imidazole derivatives, their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1984-01-18 EP disclosed
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 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 (8 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-20250223299-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE SLC10A1, HNMT, OGFR ALDH1A1 317/4885TDP1 1130/4885CYP3A4 1529/4885
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR ALDH1A1 317/4885TDP1 1130/4885CYP3A4 1529/4885
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use SLC10A1, HNMT, OGFR ALDH1A1 317/4885TDP1 1130/4885CYP3A4 1529/4885
US-10125100-B2 Kinase inhibitors SYK, LYN, SRC ALDH1A1 4454/4885TDP1 1981/4885CYP3A4 2692/4885
US-20190330155-A1 KINASE INHIBITORS SYK, LYN, BTK ALDH1A1 4377/4885TDP1 1390/4885CYP3A4 2185/4885
US-10941115-B2 Kinase inhibitors SYK, LYN, BTK ALDH1A1 4377/4885TDP1 1390/4885CYP3A4 2185/4885
US-10392346-B2 Kinase inhibitors LYN, SYK, BTK ALDH1A1 4056/4885TDP1 1294/4885CYP3A4 1611/4885
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR ALDH1A1 317/4885TDP1 1130/4885CYP3A4 1529/4885

“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.