SCHEMBL6847130

SCHEMBL6847130

S=C(N/N=C/c1ccc[nH]1)NC1CC2C=CC1C2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.64
▸ ALDH1A1 P00352 6/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ LMNA P02545 4/20 0.64
▸ RAB9A P51151 4/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ MAPK1 P28482 1/20 0.55
▸ TDP1 Q9NUW8 4/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ GAA P10253 5/20 0.48
▸ RECQL P46063 2/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL5183127 1.00 MAPT (0.64) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL5179735 0.81 ALDH1A1 (0.72) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL5181732 0.81 ALDH1A1 (0.72) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL6843084 0.77 MAPK1 (0.71) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL5180221 0.77 MAPK1 (0.71) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL6847925 0.76 MAPK1 (0.66) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL5181505 0.76 MAPK1 (0.69) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL5181004 0.76 MAPK1 (0.66) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL6846979 0.76 MAPK1 (0.69) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL5181386 0.76 ALDH1A1 (0.65) MAPTALDH1A1KDM4ELMNARAB9A

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 4 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 claimed
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 claimed
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 204/4885KDM4E 843/4885

“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.

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