SCHEMBL533558

SCHEMBL533558

BrCc1ccc(-c2nccs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.67
ADRB2 P07550 3/20 0.61
PDPK1 O15530 1/20 0.59
CYP2A6 P11509 1/20 0.47
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CHEK2 O96017 1/20 0.39

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
SCHEMBL722198 0.85 PDPK1 (0.77) LOXL2ADRB2PDPK1CYP2A6ABL1
SCHEMBL9086913 0.85 PDPK1 (0.51) LOXL2ADRB2PDPK1CYP2A6ABL1
SCHEMBL21791658 0.83 LOXL2 (0.71) LOXL2ADRB2PDPK1CYP2A6ABL1
SCHEMBL9454664 0.80 PDPK1 (0.59) LOXL2ADRB2PDPK1CYP2A6CARM1
SCHEMBL1439923 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6ABL1
SCHEMBL28842595 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6ABL1
SCHEMBL6852601 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6ABL1
SCHEMBL533419 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6ABL1
SCHEMBL534382 0.80 LOXL2 (1.00) LOXL2ADRB2PDPK1CYP2A6ABL1
SCHEMBL8240124 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6ABL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024117179-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ALIVEXIS, INC. (JP) 2024-06-06 WO disclosed
CN-105683179-B inhibitors of plasma kallikrein 卡尔维斯塔制药有限公司 2018-10-26 CN disclosed
CN-108383858-A Treat the derivative of the imidazo thiadiazoles and Imidazopyrazines of platelet aggregation 百时美施贵宝公司 2018-08-10 CN disclosed
CN-104583218-B Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 百时美施贵宝公司 2018-04-24 CN disclosed
CN-105683179-A Inhibitors of plasma kallikrein 卡尔维斯塔制药有限公司 2016-06-15 CN disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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 (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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 LOXL2 432/4885ADRB2 11/4885PDPK1 3070/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 LOXL2 395/4885ADRB2 25/4885PDPK1 2833/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 LOXL2 390/4885ADRB2 29/4885PDPK1 2670/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 LOXL2 2018/4885ADRB2 373/4885PDPK1 3995/4885

“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.