SCHEMBL6879732

SCHEMBL6879732

Cc1c(C(=O)O)cc(-c2csc(-c3ccccc3F)n2)n1CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
EIF4E P06730 5/20 0.42
GNRHR P30968 3/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GFER P55789 1/20 0.39
CNR1 P21554 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
SLC6A4 P31645 3/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
PTGER4 P35408 1/20 0.37
IDH1 O75874 1/20 0.37

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) NOTUMEIF4ENPC1RAB9ASMN1; SMN2
SCHEMBL6879341 0.88 EIF4E (0.45) NOTUMEIF4ENPC1RAB9ASMN1; SMN2
SCHEMBL6872874 0.87 NOTUM (0.42) NOTUMEIF4E
SCHEMBL5044961 0.86 HTR2A (0.46) GNRHRPIK3CDPIK3CACNR1HTR2A
SCHEMBL6879620 0.85 NOTUM (0.44) NOTUMEIF4ENPC1RAB9ASMN1; SMN2
SCHEMBL6871844 0.85 NOTUM (0.46) NOTUMNPC1RAB9ASMN1; SMN2CNR1
SCHEMBL6884351 0.84 MDM2 (0.46) NOTUMEIF4ENPC1RAB9ASMN1; SMN2
SCHEMBL6871896 0.84 NOTUM (0.43) NOTUMEIF4EPIK3CANPC1RAB9A
SCHEMBL6879796 0.84 EIF4E (0.45) NOTUMEIF4ENPC1RAB9ASMN1; SMN2
SCHEMBL6878789 0.83 NOTUM (0.42) NOTUMPIK3CANPC1RAB9ASMN1; SMN2

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 NOTUM 1360/4885EIF4E 2174/4885GNRHR 322/4885

“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.