SCHEMBL21074335

SCHEMBL21074335

O=C1N=C(Nc2cccc3ccccc23)S/C1=C/c1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 4/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 5/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP2A6 P11509 1/20 0.39
IMPDH2 P12268 1/20 0.39
NQO2 P16083 2/20 0.39
PIM1 P11309 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NTRK1 P04629 2/20 0.38
DAPK3 O43293 1/20 0.38

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
SCHEMBL19859238 0.87 ALDH1A1 (0.42) MAPTKMT2AALDH1A1GLAPOLB
SCHEMBL21074348 0.87 PRKCB (0.44) MAPTKMT2AALDH1A1GLAPOLB
SCHEMBL29801729 0.87 PRKCB (0.44) MAPTKMT2AALDH1A1GLAPOLB
SCHEMBL29801609 0.87 ALDH1A1 (0.42) MAPTKMT2AALDH1A1GLAPOLB
SCHEMBL29801526 0.86 PTGS1 (0.42) MAPTKMT2AALDH1A1GLAPOLB
SCHEMBL19859148 0.86 PTGS1 (0.42) MAPTKMT2AALDH1A1GLAPOLB
SCHEMBL23361928 0.84 MEN1 (0.39) MAPTKMT2AALDH1A1POLBHTT
SCHEMBL21048269 0.84 MEN1 (0.39) MAPTKMT2AALDH1A1POLBHTT
SCHEMBL19859142 0.84 MAPT (0.40) MAPTKMT2AALDH1A1POLBMEN1
SCHEMBL29801653 0.84 MAPT (0.40) MAPTKMT2AALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929217-A Pharmaceutical composition for treating multiple sclerosis based on AMPK inhibitory function and zinc homeostasis control function 锌医疗公司 2022-08-19 CN claimed
US-12343335-B2 Pharmaceutical composition for treating multiple sclerosis on basis of AMPK inhibitory function and zinc homeostasis control function ZINCURE CORP. (KR) 2025-07-01 US disclosed
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-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
CN-114929217-A Pharmaceutical composition for treating multiple sclerosis based on AMPK inhibitory function and zinc homeostasis control function 锌医疗公司 2022-08-19 CN disclosed
EP-3498277-B1 PHARMACEUTICAL COMPOSITION FOR STROKE TREATMENT BASED ON AMPK INHIBITION ZINCURE CORP (KR) 2021-10-06 EP 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 (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-20230000839-A1 PHARMACEUTICAL COMPOSITION FOR TREATING MULTIPLE SCLEROSIS ON BASIS OF AMPK INHIBITORY FUNCTION AND ZINC HOMEOSTASIS CONTROL FUNCTION PRKAB1, PRKAB2, PRKAG1 MAPT 517/4885KMT2A 2170/4885ALDH1A1 3057/4885
US-20190167647-A1 PHARMACEUTICAL COMPOSITION FOR STROKE TREATMENT BASED ON AMPK INHIBITION PRKAG1, PRKAB1, PRKAG2 MAPT 446/4885KMT2A 2053/4885ALDH1A1 417/4885
US-12343335-B2 Pharmaceutical composition for treating multiple sclerosis on basis of AMPK inhibitory function and zinc homeostasis control function PRKAB1, PRKAB2, PRKAG1 MAPT 517/4885KMT2A 2170/4885ALDH1A1 3057/4885

“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.