SCHEMBL6139938

SCHEMBL6139938

Cc1nc(/C=C(\Cl)C=O)cs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM5 P41594 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TLR7 Q9NYK1 2/20 0.33
RAB9A P51151 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
ECE1 P42892 1/20 0.31
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL6139944 1.00 KDM4E (0.41) KDM4EMAPTHSD17B10GRM5HDAC1
SCHEMBL6139945 1.00 KDM4E (0.41) KDM4EMAPTHSD17B10GRM5HDAC1
SCHEMBL7068851 0.80 KDM4E (0.38) KDM4EMAPTHSD17B10GRM5HDAC1
SCHEMBL7068854 0.80 KDM4E (0.38) KDM4EMAPTHSD17B10GRM5HDAC1
SCHEMBL5227488 0.79 GRM5 (0.36) KDM4EMAPTHSD17B10GRM5HDAC1
SCHEMBL6140003 0.79 GRM5 (0.36) KDM4EMAPTHSD17B10GRM5HDAC1
SCHEMBL5227481 0.79 GRM5 (0.36) KDM4EMAPTHSD17B10GRM5HDAC1
SCHEMBL5227958 0.77 KDM4E (0.43) KDM4EMAPTHSD17B10GRM5HDAC1
SCHEMBL6139687 0.75 KDM4E (0.37) KDM4EMAPTHSD17B10GRM5HDAC1
SCHEMBL5231257 0.75 KDM4E (0.37) KDM4EMAPTHSD17B10GRM5HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187270-A1 16-Halogen-epothilone derivatives, method for producing them and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-25 US disclosed
US-6930102-B2 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use SCHERING AG (DE) 2005-08-16 US disclosed
CN-1209360-C 16-halogen-epothilones derivatives, preparation method and medical application thereof SCHERIING AG (DE) 2005-07-06 CN disclosed
US-20040014978-A1 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use SCHERING AG (DE) 2004-01-22 US disclosed
US-6610736-B1 Antitumor SCHERING AG (DE) 2003-08-26 US disclosed
CN-1341115-A 16-halogen-epothilones derivatives, preparation method and medical application thereof SCHERIING AG (DE) 2002-03-20 CN disclosed
EP-1150980-A2 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-07 EP disclosed
WO-2000049021-A2 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-24 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 (2 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-20040014978-A1 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use EPOR, CYP2F1, REV1 KDM4E 2205/4885MAPT 4595/4885HSD17B10 895/4885
US-20050187270-A1 16-Halogen-epothilone derivatives, method for producing them and their pharmaceutical use ABCB1, UGT2B17, CYP7B1 KDM4E 3628/4885MAPT 3989/4885HSD17B10 96/4885

“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.