SCHEMBL6879641

SCHEMBL6879641

Cc1c(C(=O)O)cc(-c2csc(-c3ccc(Cl)cc3)n2)n1CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EIF4E P06730 6/20 0.43
NOTUM Q6P988 1/20 0.42
MAPT P10636 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL6879620 0.93 NOTUM (0.44) IDH1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6871896 0.92 NOTUM (0.43) IDH1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6878789 0.91 NOTUM (0.42) IDH1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6872874 0.91 NOTUM (0.42) EIF4ENOTUMMAPTLMNA
SCHEMBL6879796 0.89 EIF4E (0.45) IDH1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6881405 0.89 NOTUM (0.41) IDH1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5039301 0.89 CDC25A (0.49) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6472514 0.88 CNR1 (0.45) KDM4EMEN1KMT2AEIF4ENOTUM
SCHEMBL6877595 0.88 AR (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5045109 0.87 CPT1A (0.45) IDH1EIF4ENOTUMHTR2AHTR2C

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 IDH1 3182/4885KDM4E 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.