SCHEMBL1684401

SCHEMBL1684401

O=C1OCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
PTPRC P08575 3/20 0.50
S100A4 P26447 2/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CES1 P23141 1/20 0.49
MAOA P21397 4/20 0.48
MAOB P27338 3/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
TDP2 O95551 1/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL30677628 1.00 ALDH1A1 (0.54) ALDH1A1PTPRCS100A4KCNJ1KCNH2
SCHEMBL3624177 0.86 KCNJ1 (0.60) ALDH1A1PTPRCS100A4KCNJ1KCNH2
SCHEMBL12236614 0.83 ALDH1A1 (0.51) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL31504012 0.81 CA1 (0.45) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL10415981 0.79 ALDH1A1 (0.61) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL6747753 0.78 PTPRC (0.49) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL1308432 0.77 ALDH1A1 (0.60) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL13743207 0.75 ALDH1A1 (0.47) ALDH1A1PTPRCS100A4KCNJ1KCNH2
SCHEMBL5035485 0.73 ALDH1A1 (0.51) ALDH1A1PTPRCS100A4KCNJ1KCNH2
SCHEMBL27357554 0.73 ALDH1A1 (0.51) ALDH1A1PTPRCS100A4BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023027630-A9 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 WO claimed
WO-2023027630-A2 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-02 WO claimed
CN-101580507-B Novel antitumor compound and preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH 2011-08-03 CN claimed
CN-101781304-A Tetrahydroisoquinoline compound and preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH 2010-07-21 CN claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
CN-101580507-A Novel antitumor compound and preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH (CN) 2009-11-18 CN claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
EP-3972649-B1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2026-05-13 EP disclosed
US-20260061065-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2026-03-05 US disclosed
US-20250387504-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2025-12-25 US disclosed
US-20250339547-A1 MET BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2025-11-06 US disclosed
WO-2024235134-A9 CONJUGATE HAVING TARGETING EFFECT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-06-19 WO disclosed
WO-2024235136-A9 HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-06-19 WO disclosed
US-4220357-A PRESSURE SENSITIVE OR HEAT SENSITIVE SYSTEMS STERLING DRUG INC. (US) 1980-09-02 US disclosed
US-4209618-A COLOR PRECURSORS IN PRESSURE-SENSITIVE DUPLICATING SYSTEMS AND HEAT-SENSITIVE MARKING SYSTEMS STERLING DRUG INC. (US) 1980-06-24 US disclosed
US-4096176-A Benzoylbenzoic acids STERLING DRUG INC. (US) 1978-06-20 US disclosed
US-4094877-A SUBSTITUTED 3,3-DIPHENYLPHTHALIDES AS COLOR PRECURSORS STERLING DRUG INC. (US) 1978-06-13 US disclosed
US-4032527-A COLOR PRECURSORS STERLING DRUG INC. (US) 1977-06-28 US disclosed
US-3959269-A TRANQUILIZERS, SEDATIVES SANDOZ, INC. (US) 1976-05-25 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-20250387504-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF BID, BCL2, MCL1 ALDH1A1 4315/4885PTPRC 852/4885S100A4 2545/4885
US-20250339547-A1 MET BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF MET, BCL3, BCL9 ALDH1A1 2347/4885PTPRC 106/4885S100A4 2927/4885
US-20260061065-A1 ANTIBODY DRUG CONJUGATES FCGR2A, FCGR3B, BCL3 ALDH1A1 3069/4885PTPRC 1415/4885S100A4 4090/4885

“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.