SCHEMBL6881444

SCHEMBL6881444

Cc1c(C(=O)O)cc(-c2csc(C3CCCCC3)n2)n1CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
DNM1L O00429 2/20 0.42
CNR1 P21554 2/20 0.37
BAZ2A Q9UIF9 3/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
SLC6A4 P31645 3/20 0.35
CNR2 P34972 1/20 0.35
FEN1 P39748 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
RORC P51449 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34

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
SCHEMBL5044606 0.84 HTR2A (0.44) DNM1LCNR1HTR2AHTR2CSLC6A4
SCHEMBL6871844 0.84 NOTUM (0.46) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL6879620 0.82 NOTUM (0.44) NOTUMALDH1A1
SCHEMBL6871896 0.81 NOTUM (0.43) NOTUMHTR2AHTR2CSLC6A4FEN1
SCHEMBL6872874 0.81 NOTUM (0.42) NOTUM
SCHEMBL6879732 0.81 NOTUM (0.42) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL6879641 0.81 IDH1 (0.46) NOTUMHTR2AHTR2CSLC6A4MEN1
SCHEMBL6878789 0.81 NOTUM (0.42) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL5043491 0.80 EIF4E (0.43) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL6884351 0.80 MDM2 (0.46) NOTUMHTR2AHTR2CSLC6A4

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 1360/4885DNM1L 839/4885CNR1 1/4885

“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.