SCHEMBL5770397

SCHEMBL5770397

Nc1ccc(/C=C/c2ccc(N)cc2S(=O)(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.49
RAPGEF4 Q8WZA2 1/20 0.47
RAD1 O60671 1/20 0.45
P2RY6 Q15077 1/20 0.45
APP P05067 1/20 0.44
ENPP2 Q13822 1/20 0.42
SENP3 Q9H4L4 4/20 0.42
SENP2 Q9HC62 4/20 0.42
SENP1 Q9P0U3 4/20 0.42
SENP7 Q9BQF6 4/20 0.42
SUMO2 P61956 3/20 0.42
SUMO1 P63165 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
RECQL P46063 2/20 0.42
CASP6 P55212 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL5770400 1.00 CYP19A1 (0.49) CYP19A1RAPGEF4RAD1P2RY6APP
SCHEMBL30010201 0.98 RAD1 (0.46) CYP19A1RAPGEF4RAD1P2RY6APP
SCHEMBL14254892 0.94 RAD1 (0.43) CYP19A1RAPGEF4RAD1P2RY6APP
SCHEMBL9354557 0.92 ALDH1A1 (0.50) CYP19A1RAPGEF4RAD1P2RY6ENPP2
SCHEMBL9354563 0.92 ALDH1A1 (0.50) CYP19A1RAPGEF4RAD1P2RY6ENPP2
SCHEMBL170402 0.91 RAD1 (0.51) RAPGEF4RAD1P2RY6ENPP2SENP3
SCHEMBL29397316 0.91 RAD1 (0.51) RAPGEF4RAD1P2RY6ENPP2SENP3
SCHEMBL38872 0.91 RAD1 (0.51) RAPGEF4RAD1P2RY6ENPP2SENP3
SCHEMBL30616157 0.91 RAD1 (0.51) RAPGEF4RAD1P2RY6ENPP2SENP3
SCHEMBL38871 0.91 RAD1 (0.51) RAPGEF4RAD1P2RY6ENPP2SENP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10259312-A None JP disclosed
JP-59072444-A None JP disclosed
US-20180190910-A1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2018-07-05 US disclosed
US-9997710-B2 Polycyclic aromatic hydrocarbon polymers SMARTKEM LIMITED (GB) 2018-06-12 US disclosed
US-20180104168-A1 COSMETIC COMPOSITION COMPRISING TWO OPTICAL BRIGHTENERS, METHOD, USE, AND KIT-OF-PARTS THEREOF KAO GERMANY GMBH (DE) 2018-04-19 US disclosed
US-9868858-B2 Optical brightening agents for high quality ink-jet printing ARCHROMA IP GMBH (CH) 2018-01-16 US disclosed
US-20160312409-A1 OPTICAL BRIGHTENING COMPOSITIONS FOR HIGH QUALITY INK JET PRINTING ARCHROMA IP GMBH 2016-10-27 US disclosed
US-9415620-B2 Optical brightening compositions for high quality ink jet printing ARCHROMA IP GMBH (CH) 2016-08-16 US disclosed
US-20160204350-A1 POLYMYERIC ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2016-07-14 US disclosed
US-20160177098-A1 OPTICAL BRIGHTENING AGENTS FOR HIGH QUALITY INK-JET PRINTING ARCHROMA IP GMBH (CH) 2016-06-23 US disclosed
EP-0376032-A2 Stilbene dyes and films or sheets containing the same BAYER AG (DE) 1990-07-04 EP disclosed
US-4931383-A MAGENTA COUPLER, METAL COMPLEX OF A SUBSTITUTED DIPHENYL ETHER OR SULFIDE KONICA CORPORATION (JP) 1990-06-05 US disclosed
US-4912027-A A 1H-pyrazolo(5,1-C)-1,2,4-triazole magenta coupler KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1990-03-27 US disclosed
US-4863840-A Silver halide color photographic light-sensitive material comprising a specific combination of color couplers KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1989-09-05 US disclosed
EP-0308872-A2 Direct positive-type silver halide light-sensitive photographic material KONICA CORPORATION (JP) 1989-03-29 EP disclosed
EP-0302700-A2 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1989-02-08 EP disclosed
EP-0294149-A2 Silver halide photographic light-sensitive material and processing method therefore KONICA CORPORATION (JP) 1988-12-07 EP disclosed
US-4687731-A STORAGE STABILITY KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-08-18 US disclosed
JP-S5972444-A METHOD FOR PROCESSING SILVER HALIDE COLOR PHOTOGRAPHIC SENSITIVE MATERIAL KONISHIROKU PHOTO IND CO LTD 1984-04-24 JP disclosed
US-4232112-A WHITENING BY ADDING A 4,4'-DIAMINOSTILBENEDISULFONIC ACID DERIVATIVE AND A CARBOSULFONIC ACID KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-11-04 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-20160312409-A1 OPTICAL BRIGHTENING COMPOSITIONS FOR HIGH QUALITY INK JET PRINTING DDB1, SMO, ZKSCAN2 CYP19A1 4795/4885RAPGEF4 2181/4885RAD1 3891/4885
US-20180104168-A1 COSMETIC COMPOSITION COMPRISING TWO OPTICAL BRIGHTENERS, METHOD, USE, AND KIT-OF-PARTS THEREOF KRT18, TYR, CUTA CYP19A1 1356/4885RAPGEF4 4695/4885RAD1 586/4885

“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.