SCHEMBL5180335

SCHEMBL5180335

Cc1ccc(NC(=O)N/N=C/c2ccc(N3CCCC3)cc2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ CA2 P00918 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA7 P43166 2/20 0.50
▸ GAA P10253 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ GLA P06280 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HPGD P15428 1/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5180324 1.00 MAPT (0.58) MAPTKDM4ECA2CA9CA7
SCHEMBL17452409 0.86 POLB (0.51) MAPTGAAKMT2ARAB9ANPC1
SCHEMBL15897535 0.81 POLB (0.50) CA9GAAKMT2ARAB9ANPC1
SCHEMBL5180943 0.81 POLB (0.52) MAPTGAAALDH1A1KMT2ARAB9A
SCHEMBL5180947 0.81 POLB (0.52) MAPTGAAALDH1A1KMT2ARAB9A
SCHEMBL5180504 0.74 GFER (0.64) MAPTGAARAB9APKMNPSR1
SCHEMBL5180795 0.74 GFER (0.64) MAPTGAARAB9APKMNPSR1
SCHEMBL5180102 0.74 MAPT (0.52) MAPTKDM4EALDH1A1KMT2ARAB9A
SCHEMBL5180097 0.74 MAPT (0.52) MAPTKDM4EALDH1A1KMT2ARAB9A
SCHEMBL17452430 0.73 RRM1 (0.58) MAPTALDH1A1KMT2ARAB9ANPC1

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 4822/4885KDM4E 843/4885CA2 1341/4885

“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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