SCHEMBL6843014

SCHEMBL6843014

O=[N+]([O-])c1cccc(/C=N\NC(=S)NC2CC3C=CC2C3)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.56
ALDH1A1 P00352 7/20 0.56
LMNA P02545 5/20 0.56
KMT2A Q03164 5/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
KDM4E B2RXH2 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPSR1 Q6W5P4 4/20 0.55
MAPK1 P28482 1/20 0.54
MEN1 O00255 3/20 0.53
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL5180502 1.00 MAPT (0.56) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL5181439 0.88 MAPK1 (0.63) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL6843013 0.88 MAPK1 (0.63) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL5180650 0.82 ALDH1A1 (0.70) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL5180644 0.82 ALDH1A1 (0.70) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL5181732 0.81 ALDH1A1 (0.72) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL5179735 0.81 ALDH1A1 (0.72) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL6843098 0.80 GALR3 (0.62) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL6843099 0.80 GALR3 (0.62) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL6848369 0.77 L3MBTL1 (0.55) MAPTALDH1A1LMNAKMT2ANPC1

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 MAPT 4822/4885ALDH1A1 204/4885LMNA 3707/4885

“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.