SCHEMBL3209348

SCHEMBL3209348

S=C=Nc1ccccc1C=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.46
TRPA1 O75762 3/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
MAOA P21397 2/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
CCR2 P41597 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MIF P14174 1/20 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
SCHEMBL18528944 1.00 NFE2L2 (0.46) NFE2L2TRPA1ALDH1A1CYP1A2MAOA
SCHEMBL6057243 0.90 ALDH1A1 (0.50) NFE2L2TRPA1ALDH1A1CYP1A2MAOA
SCHEMBL6057240 0.90 ALDH1A1 (0.50) NFE2L2TRPA1ALDH1A1CYP1A2MAOA
SCHEMBL28420132 0.86 ALDH1A1 (0.42) NFE2L2TRPA1ALDH1A1CYP1A2MAOA
SCHEMBL11022950 0.81 NFE2L2 (0.46) NFE2L2TRPA1ALDH1A1CYP1A2MAOA
SCHEMBL11022955 0.81 NFE2L2 (0.46) NFE2L2TRPA1ALDH1A1CYP1A2MAOA
SCHEMBL14690155 0.78 NFE2L2 (0.54) NFE2L2TRPA1MAOASIGMAR1MAOB
SCHEMBL14690157 0.78 NFE2L2 (0.54) NFE2L2TRPA1MAOASIGMAR1MAOB
SCHEMBL14690153 0.78 NFE2L2 (0.54) NFE2L2TRPA1MAOASIGMAR1MAOB
SCHEMBL28619294 0.76 CDK4 (0.47) TRPA1ALDH1A1CYP1A2MAOAABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10980765-B2 Isothiocyanatostilbenes as a novel method and product for treating cancer BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2021-04-20 US claimed
US-20190000791-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER Board of Supervisors for the University of Louisiana System 2019-01-03 US claimed
WO-2017031036-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER GRAY ALANA LEA (US) 2017-02-23 WO claimed
US-10980765-B2 Isothiocyanatostilbenes as a novel method and product for treating cancer BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2021-04-20 US disclosed
US-10980765-B2 Isothiocyanatostilbenes as a novel method and product for treating cancer BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2021-04-20 US disclosed
US-10980765-B2 Isothiocyanatostilbenes as a novel method and product for treating cancer BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2021-04-20 US disclosed
US-20190000791-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER Board of Supervisors for the University of Louisiana System 2019-01-03 US disclosed
US-20190000791-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER Board of Supervisors for the University of Louisiana System 2019-01-03 US disclosed
WO-2017031036-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER GRAY ALANA LEA (US) 2017-02-23 WO disclosed
WO-2017031036-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER GRAY ALANA LEA (US) 2017-02-23 WO disclosed
US-20100029613-A1 TREATMENT AND PREVENTION OF EPILEPSY UNIVERSITY OF ROCHESTER (US) 2010-02-04 US disclosed
EP-1426762-A1 REMEDIES FOR HEART DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-06-09 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 (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-10980765-B2 Isothiocyanatostilbenes as a novel method and product for treating cancer SI, PCMT1, HDAC8 NFE2L2 2965/4885TRPA1 813/4885ALDH1A1 819/4885
US-20190000791-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER SI, PCMT1, HDAC8 NFE2L2 2965/4885TRPA1 813/4885ALDH1A1 819/4885

“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.