SCHEMBL1163609

SCHEMBL1163609

O=C1C(Br)=C(Br)C(=O)N1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.52
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
GAA P10253 3/20 0.50
HSPA1A P0DMV8 1/20 0.47
PABPC1 P11940 1/20 0.47
ESR1 P03372 1/20 0.47
CES2 O00748 1/20 0.47
BCHE P06276 1/20 0.47
CES1 P23141 1/20 0.47
GRK5 P34947 1/20 0.45
TYRO3 Q06418 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SCN2A Q99250 1/20 0.44

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
SCHEMBL16280099 0.84 MGLL (0.62) MGLLALDH1A1NPSR1GAAHSPA1A
SCHEMBL5095782 0.83 MGLL (0.54) MGLLALDH1A1ESR1MEN1KMT2A
SCHEMBL3682338 0.79 CA9 (0.58) MGLLALDH1A1NPSR1GAAHSPA1A
N-Phenyl-Phthalimide SCHEMBL123618 0.77 KMT2A (0.68) ALDH1A1NPSR1GAAHSPA1APABPC1
SCHEMBL19773976 0.77 KMT2A (0.68) ALDH1A1NPSR1GAAHSPA1APABPC1
N-Phenyl-Phthalimide SCHEMBL29819622 0.77 KMT2A (0.68) ALDH1A1NPSR1GAAHSPA1APABPC1
SCHEMBL11885313 0.76 CDC25A (0.43) MGLLALDH1A1NPSR1GAAMEN1
SCHEMBL10835050 0.76 ELANE (0.60) MGLLALDH1A1NPSR1GAAMEN1
SCHEMBL16356260 0.76 HSPA1A (0.49) MGLLALDH1A1NPSR1GAAHSPA1A
SCHEMBL15289970 0.76 CA9 (0.65) ALDH1A1MEN1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110551054-B Maleimide derivative, and preparation method and application thereof 中国科学院理化技术研究所 2021-04-02 CN disclosed
US-10933142-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2021-03-02 US disclosed
US-10933142-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2021-03-02 US disclosed
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL BUSINESS LTD (GB) 2020-04-09 US disclosed
US-10548982-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2020-02-04 US disclosed
US-10548982-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2020-02-04 US disclosed
CN-110551054-A maleimide derivative, and preparation method and application thereof TECHNICAL INST PHYSICS & CHEMISTRY CAS 2019-12-10 CN disclosed
CN-109988371-A Resin combination, formed body, food contact apparatus and food contact container 奇美实业股份有限公司 2019-07-09 CN disclosed
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2019-05-16 US disclosed
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2019-05-16 US disclosed
CN-1468899-A Serial thermoplastic polystyrene resin compositions 奇美实业股份有限公司 2004-01-21 CN disclosed
CN-1057784-C Heat-resistant styrene resin composition with low surface gloss QIMEI IND CO LTD (CN) 2000-10-25 CN disclosed
CN-1057102-C Continuous production method of impact-resistant styrene resin QIMEI IND CO LTD (CN) 2000-10-04 CN disclosed
CN-1127274-A Heat-resistant styrene resin composition with low surface gloss QIMEI COMMERCIAL AND IND CO LT (CN) 1996-07-24 CN disclosed
CN-1120562-A Continuous production method of impact-resistant styrene resin QIMEI IND CO LTD (CN) 1996-04-17 CN disclosed
US-4563209-A ALGAE AND SHELLFISH IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1986-01-07 US disclosed
EP-0010107-B1 REPELLENT AGAINST AQUATIC ORGANISMS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1983-04-13 EP disclosed
US-4318730-A Aquatic organism inhibiting composition IHARA CHEMICAL INDUSTRY CO. LTD., (JP) 1982-03-09 US disclosed
EP-0010107-A1 REPELLENT AGAINST AQUATIC ORGANISMS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1980-04-30 EP disclosed
US-4111879-A RESIN AND AN N-ARYL-MALEIMIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1978-09-05 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 (4 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-20190142950-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MGLL 4714/4885ALDH1A1 76/4885NPSR1 833/4885
US-10548982-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 MGLL 4714/4885ALDH1A1 76/4885NPSR1 833/4885
US-10933142-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 MGLL 4714/4885ALDH1A1 76/4885NPSR1 833/4885
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES F12, F13A1, F2 MGLL 4698/4885ALDH1A1 80/4885NPSR1 883/4885

“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.