SCHEMBL7561297

SCHEMBL7561297

O=C(O)c1cc(OC(Cn2ccnc2)c2nccs2)ccc1CCc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.38
IDO1 P14902 1/20 0.38
CYP19A1 P11511 2/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL7568948 0.91 KDM4E (0.38) TBXAS1IDO1CYP19A1PTGS2ALDH1A1
SCHEMBL7567659 0.87 KDM5A (0.35) ALDH1A1MEN1TP53KMT2ASMN1; SMN2
SCHEMBL7563951 0.87 PTGS2 (0.46) TBXAS1IDO1CYP19A1PTGS2ALDH1A1
SCHEMBL7563965 0.84 FNTA (0.46)
SCHEMBL7590669 0.84 FNTA (0.46)
SCHEMBL7561731 0.84 CYP3A4 (0.35) TBXAS1PTGS2ALDH1A1CYP3A4TDP1
SCHEMBL7591164 0.84 FNTA (0.35) TBXAS1PTGS2CYP3A4CYP2C9
SCHEMBL7565283 0.84 FNTA (0.35) TBXAS1PTGS2CYP3A4CYP2C9
SCHEMBL7570258 0.81 CYP11B1 (0.34) MEN1TP53KMT2ASMN1; SMN2
SCHEMBL7569513 0.79 TP53 (0.33) ALDH1A1MAPTMEN1TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-16 US disclosed
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-02 US disclosed
US-6342765-B1 COMPOUNDS THAT INHIBIT FARNESYLATION OF MUTANT RAS GENE PRODUCTS; TREATING DISEASES, ESPECIALLY CANCER, WHICH ARE MEDIATED THROUGH FARNESYLATION OF RAS ASTRAZENECA UK LIMITED (GB) 2002-01-29 US disclosed
EP-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 EP 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 (2 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-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA TBXAS1 1472/4885IDO1 2422/4885CYP19A1 836/4885
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA TBXAS1 2041/4885IDO1 2367/4885CYP19A1 806/4885

“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.