SCHEMBL6877595

SCHEMBL6877595

Cc1c(C(=O)O)cc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
EIF4E P06730 11/20 0.45
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
RAB9A P51151 4/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NOTUM Q6P988 1/20 0.40
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 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
SCHEMBL6879620 0.89 NOTUM (0.44) EIF4EPTPRFPTPN2PTPN1RAB9A
SCHEMBL6871896 0.88 NOTUM (0.43) EIF4EPTPRFPTPN2PTPN1RAB9A
SCHEMBL6878789 0.88 NOTUM (0.42) ARPTPRFPTPN2PTPN1RAB9A
SCHEMBL6872874 0.88 NOTUM (0.42) EIF4EMAPTNOTUMLMNACYP1A2
SCHEMBL6879641 0.88 IDH1 (0.46) EIF4ERAB9AMEN1KMT2AMAPT
SCHEMBL5044794 0.87 AR (0.43) AREIF4EPTPRFPTPN2PTPN1
SCHEMBL5039301 0.86 CDC25A (0.49) EIF4ERAB9AMEN1KMT2AMAPT
SCHEMBL6881405 0.86 NOTUM (0.41) EIF4EPTPRFPTPN2PTPN1RAB9A
SCHEMBL6472514 0.85 CNR1 (0.45) EIF4EMEN1KMT2ANOTUMPOLB
SCHEMBL5045109 0.84 CPT1A (0.45) EIF4ENOTUM

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 AR 662/4885EIF4E 2174/4885PTPRF 810/4885

“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.