SCHEMBL21074378

SCHEMBL21074378

O=C1N=C(Nc2cccc(Br)c2)S/C1=C\c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.43
MAPK14 Q16539 1/20 0.41
GOT1 P17174 1/20 0.39
EGFR P00533 3/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPAS1 Q99814 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP2A6 P11509 1/20 0.36
IMPDH2 P12268 1/20 0.36
CAMK2D Q13557 1/20 0.36

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
SCHEMBL29801537 1.00 STING1 (0.43) STING1MAPK14GOT1EGFRSENP7
SCHEMBL21074342 0.88 SENP8 (0.52) SENP7SENP8SENP6KDM4EALDH1A1
SCHEMBL29801391 0.88 SENP8 (0.52) SENP7SENP8SENP6KDM4EALDH1A1
SCHEMBL29801683 0.88 SENP7 (0.44) SENP7SENP8SENP6KDM4EALDH1A1
SCHEMBL19859149 0.88 SENP7 (0.44) SENP7SENP8SENP6KDM4EALDH1A1
SCHEMBL21048265 0.88 MIF (0.42) MAPK14EGFRSENP7SENP8SENP6
SCHEMBL29801540 0.88 PRKCB (0.47) EGFRSENP7SENP8SENP6KDM4E
SCHEMBL29801454 0.88 MIF (0.42) MAPK14EGFRSENP7SENP8SENP6
SCHEMBL21048266 0.88 MIF (0.42) MAPK14EGFRSENP7SENP8SENP6
SCHEMBL19859239 0.88 PRKCB (0.47) EGFRSENP7SENP8SENP6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498277-B1 PHARMACEUTICAL COMPOSITION FOR STROKE TREATMENT BASED ON AMPK INHIBITION ZINCURE CORP (KR) 2021-10-06 EP claimed
US-20230000839-A1 PHARMACEUTICAL COMPOSITION FOR TREATING MULTIPLE SCLEROSIS ON BASIS OF AMPK INHIBITORY FUNCTION AND ZINC HOMEOSTASIS CONTROL FUNCTION ZINCURE CORP. (KR) 2023-01-05 US disclosed
US-20190167647-A1 PHARMACEUTICAL COMPOSITION FOR STROKE TREATMENT BASED ON AMPK INHIBITION ZINCURE CORP. (KR) 2019-06-06 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-20230000839-A1 PHARMACEUTICAL COMPOSITION FOR TREATING MULTIPLE SCLEROSIS ON BASIS OF AMPK INHIBITORY FUNCTION AND ZINC HOMEOSTASIS CONTROL FUNCTION PRKAB1, PRKAB2, PRKAG1 STING1 2372/4885MAPK14 1866/4885GOT1 414/4885
US-20190167647-A1 PHARMACEUTICAL COMPOSITION FOR STROKE TREATMENT BASED ON AMPK INHIBITION PRKAG1, PRKAB1, PRKAG2 STING1 3220/4885MAPK14 967/4885GOT1 118/4885

“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.