SCHEMBL5180543

SCHEMBL5180543

Cc1ccc(NC(=S)NN=Cc2nn(C)cc2Cl)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ ALOX12 P18054 3/20 0.62
▸ HTT P42858 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ CTH P32929 4/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ MCHR1 Q99705 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43

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
SCHEMBL5180530 1.00 MAPT (0.62) MAPTALOX12HTTALDH1A1LMNA
SCHEMBL5179304 0.87 CTH (0.53) MAPTALOX12HTTALDH1A1LMNA
SCHEMBL5179311 0.87 CTH (0.53) MAPTALOX12HTTALDH1A1LMNA
SCHEMBL5181391 0.76 MAPT (0.76) MAPTALOX12HTTALDH1A1LMNA
SCHEMBL5181384 0.76 MAPT (0.76) MAPTALOX12HTTALDH1A1LMNA
SCHEMBL5181864 0.76 ALOX12 (0.68) MAPTALOX12HTTALDH1A1NPSR1
SCHEMBL5181869 0.76 ALOX12 (0.68) MAPTALOX12HTTALDH1A1NPSR1
SCHEMBL5180461 0.73 MAPT (0.61) MAPTALOX12HTTALDH1A1CTH
SCHEMBL6848013 0.73 MAPT (0.61) MAPTALOX12HTTALDH1A1CTH
SCHEMBL5180111 0.73 MAPT (0.71) MAPTALOX12HTTALDH1A1LMNA

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 10 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
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
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 4822/4885ALOX12 3136/4885HTT 2675/4885

“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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