SCHEMBL5181450

SCHEMBL5181450

Cc1ccc(NC(=S)NN=Cc2ccc([N+](=O)[O-])o2)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ HPGD P15428 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ POLB P06746 3/20 0.61
▸ HTT P42858 6/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ LMNA P02545 6/20 0.55
▸ MITF O75030 6/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ CYP1A2 P05177 4/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ PDE3A Q14432 1/20 0.53
▸ SARM1 Q6SZW1 1/20 0.53

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
SCHEMBL5182238 1.00 MAPT (0.64) MAPTALDH1A1HPGDL3MBTL1POLB
SCHEMBL5180214 0.78 MAPT (0.60) MAPTALDH1A1L3MBTL1POLBHTT
SCHEMBL5181509 0.78 MAPT (0.60) MAPTALDH1A1L3MBTL1POLBHTT
SCHEMBL5179613 0.77 LMNA (0.60) MAPTALDH1A1L3MBTL1POLBHTT
SCHEMBL5179611 0.77 LMNA (0.60) MAPTALDH1A1L3MBTL1POLBHTT
SCHEMBL5181626 0.77 MEN1 (0.74) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL5180345 0.77 MAPT (0.73) MAPTALDH1A1HPGDL3MBTL1POLB
SCHEMBL5180351 0.77 MAPT (0.73) MAPTALDH1A1HPGDL3MBTL1POLB
SCHEMBL5181623 0.77 MEN1 (0.74) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL5191304 0.75 POLB (0.69) MAPTALDH1A1POLBHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399159-A4 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2007-02-14 — — EP claimed
EP-1399159-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 Cytovia, Inc. (US) 2004-03-24 — — EP 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
WO-2002098420-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 CYTOVIA, INC. (US) 2002-12-12 — — WO claimed
EP-1399159-A4 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2007-02-14 — — EP disclosed
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
EP-1399159-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 Cytovia, Inc. (US) 2004-03-24 — — EP 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
WO-2002098420-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 CYTOVIA, INC. (US) 2002-12-12 — — WO 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 204/4885HPGD 4395/4885

“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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