SCHEMBL4100479

SCHEMBL4100479

NC(=S)NN=C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 7/20 0.46
GAA P10253 5/20 0.46
KDM4E B2RXH2 5/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL941085 0.98 KMT2A (0.55) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL27943531 0.98 KMT2A (0.55) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL3070503 0.81 KDM4E (0.44) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL3070506 0.81 KDM4E (0.44) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL3776494 0.80 MEN1 (0.41) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL9356593 0.76 KDM4E (0.48) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL9356896 0.74 KDM4E (0.52) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL27480008 0.74 KMT2A (0.46) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL9130522 0.74 KDM4E (0.39) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL9130518 0.74 KDM4E (0.39) KMT2ALMNAMEN1NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006496-B1 TIRE RUBBER COMPOSITION AND MANUFACTURING METHOD THEREFOR BRIDGESTONE CORP (JP) 2017-07-19 EP claimed
CN-106794125-B NAT10 modulators for the treatment or prevention of laminopathies, aging and cancer 剑桥企业有限公司 2021-11-23 CN disclosed
US-9809562-B2 NAT10 modulators for treating or preventing laminopathies, aging and cancer CAMBRIDGE ENTERPRISE LIMITED (GB) 2017-11-07 US disclosed
US-20170174644-A1 NAT10 MODULATORS FOR TREATING OR PREVENTING LAMINOPATHIES, AGING AND CANCER CAMBRIDGE ENTERPRISE LIMITED (GB) 2017-06-22 US disclosed
EP-3137077-A1 NAT10 MODULATORS FOR TREATING OR PREVENTING LAMINOPATHIES, AGING AND CANCER Cambridge Enterprise Limited (GB) 2017-03-08 EP disclosed
CN-105246966-A Rubber composition for tire and method for producing same BRIDGESTONE CORP 2016-01-13 CN disclosed
WO-2015150824-A1 NAT10 MODULATORS FOR TREATING OR PREVENTING LAMINOPATHIES, AGING AND CANCER CAMBRIDGE ENTERPRISE LIMITED (GB) 2015-10-08 WO disclosed
EP-1789427-B1 PREPARATION OF PLATINUM(II) COMPLEXES PLATCO TECHNOLOGIES PROPRIETAR (ZA) 2009-05-20 EP disclosed
US-20040186156-A1 Substituted N-(1,4,5,6,-tetrahydro-cyclopentapyrazol-3-yl) derivatives, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 US disclosed
US-6747046-B2 ANTITUMOR, ANTI CELL PROLIFERATION SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030212121-A1 Substituted N-(1,4,5,6-tetrahydro-cyclopentapyrazol-3-yl) derivatives, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-11-13 US disclosed
WO-2003029223-A1 SUBSTITUTED N-(1,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOL-3-YL) DERIVATIVES AND THE USE OF THE SAME FOR THE TREATMENT OF CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed
US-4032659-A ADMINISTERING THIOSEMICARBAZONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1977-06-28 US disclosed
US-4027039-A ADMINISTERING AMINOGUANIDINE, GUANIDINE, OR 1-(SEC-BUTYLIDENEAMINO)GUANIDINE AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-31 US disclosed
US-3980774-A HYDRAZINE AND HYDRAZINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-09-14 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 (3 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-20170174644-A1 NAT10 MODULATORS FOR TREATING OR PREVENTING LAMINOPATHIES, AGING AND CANCER LMNB2, LMNB1, LMNA KMT2A 2087/4885LMNA 3/4885MEN1 824/4885
US-20030212121-A1 Substituted N-(1,4,5,6-tetrahydro-cyclopentapyrazol-3-yl) derivatives, their production and use as pharmaceutical agents PTGIS, NPC1, APC KMT2A 4766/4885LMNA 2920/4885MEN1 1814/4885
US-20040186156-A1 Substituted N-(1,4,5,6,-tetrahydro-cyclopentapyrazol-3-yl) derivatives, their production and use as pharmaceutical agents PTGIS, NPC1, APC KMT2A 4743/4885LMNA 2711/4885MEN1 1763/4885

“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.