SCHEMBL2126261

SCHEMBL2126261

O=C1C(O)=C(Cl)C(=O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.68
TDP2 O95551 2/20 0.68
IDO1 P14902 1/20 0.68
DNMT1 P26358 1/20 0.68
DNMT3L Q9UJW3 1/20 0.68
DNMT3A Q9Y6K1 1/20 0.68
MAPT P10636 6/20 0.52
HTT P42858 4/20 0.52
NPC1 O15118 3/20 0.52
MAPK1 P28482 3/20 0.52
RAB9A P51151 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
CDC25B P30305 1/20 0.50
HSP90AA1 P07900 3/20 0.48
HSP90AB1 P08238 2/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
Sulfuric Acid SCHEMBL989869 0.92 APAF1 (0.58) APAF1TDP2IDO1DNMT1DNMT3L
SCHEMBL16745426 0.83 APAF1 (0.58) APAF1TDP2IDO1DNMT1DNMT3L
Dichlon SCHEMBL29360991 0.82 IDO1 (1.00) APAF1TDP2IDO1DNMT1DNMT3L
Dichlon SCHEMBL9751236 0.82 IDO1 (1.00) APAF1TDP2IDO1DNMT1DNMT3L
SCHEMBL461648 0.82 APAF1 (1.00) APAF1TDP2IDO1DNMT1DNMT3L
Dichlon SCHEMBL45723 0.82 IDO1 (1.00) APAF1TDP2IDO1DNMT1DNMT3L
SCHEMBL29678361 0.82 APAF1 (1.00) APAF1TDP2IDO1DNMT1DNMT3L
Dichlon SCHEMBL10794085 0.79 IDO1 (0.94) APAF1TDP2IDO1DNMT1DNMT3L
Dichlon SCHEMBL28269079 0.79 IDO1 (0.94) APAF1TDP2IDO1DNMT1DNMT3L
Dichlon SCHEMBL5077878 0.79 IDO1 (0.94) APAF1TDP2IDO1DNMT1DNMT3L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877210-A CONTROLLING IMMUNE RESPONSE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 US claimed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US claimed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US claimed
US-4111977-A Flame retardant polycarbonate composition GENERAL ELECTRIC COMPANY (US) 1978-09-05 US claimed
US-20230241078-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2023-08-03 US disclosed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-20200246352-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2020-08-06 US disclosed
EP-3684352-A1 VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT CFM Pharma Holding BV (NL) 2020-07-29 EP disclosed
WO-2019059770-A1 VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT CFM PHARMA HOLDING B.V. (NL) 2019-03-28 WO disclosed
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-07 US disclosed
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-07 US disclosed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US disclosed
EP-0735880-A1 USE OF VANADIUM MOLYBDENUM OR TUNGSTEN COMPLEXES FOR CONTROLLING CELLULAR PROLIFERATION Bristol-Myers Squibb Company (US) 1996-10-09 EP disclosed
EP-0508667-B1 Aqueous agricultural compositions, methods of making them and their use MONSANTO CO (US) 1996-06-05 EP disclosed
WO-1995020390-A1 USE OF VANADIUM MOLYBDENUM OR TUNGSTEN COMPLEXES FOR CONTROLLING CELLULAR PROLIFERATION BRISTOL-MYERS SQUIBB COMPANY (US) 1995-08-03 WO disclosed
EP-0508667-A1 Aqueous agricultural compositions, methods of making them and their use MONSANTO COMPANY (US) 1992-10-14 EP disclosed
US-4111977-A Flame retardant polycarbonate composition GENERAL ELECTRIC COMPANY (US) 1978-09-05 US disclosed
US-4069201-A DISODIUM CHLORANILATE GENERAL ELECTRIC COMPANY (US) 1978-01-17 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 (2 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-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof NQO1, RECQL, ABCB1 APAF1 4155/4885TDP2 3016/4885IDO1 2782/4885
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF NQO1, RECQL, ABCB1 APAF1 4155/4885TDP2 3016/4885IDO1 2782/4885

“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.