SCHEMBL6843013

SCHEMBL6843013

O=[N+]([O-])c1ccc(/C=N/NC(=S)NC2CC3C=CC2C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.62
MAPT P10636 11/20 0.57
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
NPSR1 Q6W5P4 3/20 0.56
MAOB P27338 1/20 0.53
RRM1 P23921 1/20 0.52
RRM2 P31350 1/20 0.52
RRM2B Q7LG56 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 1/20 0.50
PTPN1 P18031 1/20 0.47

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
SCHEMBL5181439 1.00 MAPK1 (0.63) MAPK1CTDSP1MAPTALDH1A1KDM4E
SCHEMBL6843014 0.88 MAPT (0.56) MAPK1CTDSP1MAPTALDH1A1KDM4E
SCHEMBL5180502 0.88 MAPT (0.56) MAPK1CTDSP1MAPTALDH1A1KDM4E
SCHEMBL6843084 0.84 MAPK1 (0.71) MAPK1MAPTALDH1A1KDM4ELMNA
SCHEMBL5179735 0.83 ALDH1A1 (0.72) MAPK1MAPTALDH1A1KDM4ELMNA
SCHEMBL5181732 0.83 ALDH1A1 (0.72) MAPK1MAPTALDH1A1KDM4ELMNA
SCHEMBL6848369 0.82 L3MBTL1 (0.55) MAPK1MAPTALDH1A1KDM4ELMNA
SCHEMBL6848373 0.82 L3MBTL1 (0.55) MAPK1MAPTALDH1A1KDM4ELMNA
SCHEMBL5180650 0.81 ALDH1A1 (0.70) MAPK1MAPTALDH1A1KDM4ELMNA
SCHEMBL5180644 0.81 ALDH1A1 (0.70) MAPK1MAPTALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794400-B2 USE AS ANTICANCER AGENTS AND IN OTHER CONDITIONS INVOLVING ABNORMAL CELL PROLIFERATION SUCH AS RHEUMATOID ARTHRITIS CYTOVIA, INC. 2004-09-21 US disclosed
US-20030045581-A1 4-substituted-1- (arylmethylidene) thiosemicarbazide, 4-substituted-1- (arylcarbonyl) thiosemicarbazide and analogs as activators of caspases and inducers of apoptosis and the use thereof DISCOVER GROWTH FUND, LLC (VI) 2003-03-06 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 (1 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-20030045581-A1 4-substituted-1- (arylmethylidene) thiosemicarbazide, 4-substituted-1- (arylcarbonyl) thiosemicarbazide and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP1, CASP3, CASP4 MAPK1 1962/4885CTDSP1 2869/4885MAPT 4822/4885

“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.