SCHEMBL519565

SCHEMBL519565

Brc1ccsc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 4/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 1/20 0.41
PDPK1 O15530 1/20 0.40
CASP3 P42574 2/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
PTPRC P08575 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL770898 0.79 POLB (0.44) KMT2APOLBCASP3MAPTRXFP1
SCHEMBL7388070 0.77 PTGS2 (0.46) MAPK1ALDH1A1PTGS2POLBCASP3
SCHEMBL28002826 0.76 ALDH1A1 (0.42) MAPK1KMT2AALDH1A1POLBEDNRB
SCHEMBL1681771 0.73 PTGS2 (0.65) PTGS2PTPRCBCAT2
SCHEMBL9825770 0.73 POLB (0.42) KMT2AALDH1A1POLBCASP3MAPT
SCHEMBL15332349 0.73 PTGS1 (0.56) MAPK1KMT2ATP53ALOX15ALDH1A1
SCHEMBL1180417 0.73 PTGS2 (0.50) KMT2AALDH1A1PTGS2POLBCASP3
SCHEMBL8221527 0.73 LOXL2 (0.50) POLBCASP3MAPTCYP2A6
SCHEMBL22157985 0.71 TP53 (0.44) MAPK1KMT2ATP53ALOX15ALDH1A1
SCHEMBL498912 0.71 PTGS2 (0.41) MAPK1KMT2ATP53ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195729-B Benzotriazine single free radical compound and preparation method thereof 郑州大学 2023-06-30 CN disclosed
CN-105254622-B There is photochromic perfluoro-cyclopentene compound of aluminium ion identification function and its preparation method and application containing antipyrine monomer 江西科技师范大学 2018-02-27 CN disclosed
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-9379337-B2 Organic electroluminescent element material, organic electroluminescent element, display device, and lighting device Konica Minolta, Inc. (JP) 2016-06-28 US disclosed
EP-3006031-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2016-04-13 EP disclosed
EP-2393360-B1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-20150295191-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE,AND LIGHTING DEVICE UDC IRELAND LIMITED (IE) 2015-10-15 US disclosed
US-9099659-B2 Organic electroluminescent element material, organic electroluminescent element, display device, and lighting device Konica Minolta, Inc. (JP) 2015-08-04 US disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US disclosed
CN-1184470-A Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 1998-06-10 CN disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 US disclosed
US-5571821-A CARDIOVASCULAR DISORDERS TO MODULATE ENDOTHELIN, HYPOTENSIVE AGENTS AND VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-11-05 US disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed
EP-0699191-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-03-06 EP disclosed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 WO disclosed
US-4723988-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-09 US disclosed
US-4684393-A PLATN GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1987-08-04 US disclosed
EP-0165753-A2 Herbicidal thiophenesulfonamides and pyridinesulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-27 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 (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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MAPK1 929/4885KMT2A 1900/4885TP53 4829/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MAPK1 1021/4885KMT2A 1887/4885TP53 4820/4885
US-20150295191-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE,AND LIGHTING DEVICE L1CAM, LEF1, OCIAD2 MAPK1 2213/4885KMT2A 1098/4885TP53 4260/4885

“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.