SCHEMBL6879796

SCHEMBL6879796

Cc1c(C(=O)O)cc(-c2csc(-c3ccc(Cl)cc3Cl)n2)n1CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 6/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.44
RAB9A P51151 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SHMT1 P34896 6/20 0.42
IDH1 O75874 1/20 0.41
NOTUM Q6P988 1/20 0.41
CNR1 P21554 3/20 0.40
SHMT2 P34897 5/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5043491 0.90 EIF4E (0.43) EIF4EKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6879641 0.89 IDH1 (0.46) EIF4EKDM4ENPC1CRHBPRAB9A
SCHEMBL5039421 0.86 HTR2A (0.48) IDH1CNR1HTR2AHTR2CSLC6A4
SCHEMBL3928179 0.86 NOTUM (0.50) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL6879732 0.84 NOTUM (0.42) EIF4ENPC1RAB9ASMN1; SMN2IDH1
SCHEMBL6879620 0.83 NOTUM (0.44) EIF4EKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6871844 0.83 NOTUM (0.46) KDM4ENPC1RAB9ASMN1; SMN2IDH1
SCHEMBL6871896 0.83 NOTUM (0.43) EIF4EKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6872874 0.82 NOTUM (0.42) EIF4ENOTUMLMNA
SCHEMBL6878789 0.82 NOTUM (0.42) NPC1RAB9ASMN1; SMN2IDH1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 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 (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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R EIF4E 2174/4885KDM4E 2916/4885NPC1 500/4885

“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.