SCHEMBL6848065

SCHEMBL6848065

Cn1c(-c2ccsc2)nnc1-c1nc(-c2cccc(F)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARA Q07869 1/20 0.44
GRM5 P41594 3/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
CA4 P22748 1/20 0.40
MAPT P10636 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL1543792 0.83 TP53 (0.39) TP53CA2CA9CA12CA1
SCHEMBL1543794 0.82 MAPT (0.58) TP53SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL1543545 0.79 KCNH2 (0.40) TP53CA2CA9CA12CA1
SCHEMBL1543547 0.78 DRD2 (0.42) TP53RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2360819 0.70 L3MBTL1 (0.77) TP53RAB9ANPC1SMN1; SMN2GRM5
SCHEMBL27810130 0.69 TP53 (0.50) TP53RAB9ANPC1SMN1; SMN2GRM5
SCHEMBL19844752 0.69 NPC1 (0.66) TP53CA2CA9CA12CA1
SCHEMBL2303438 0.69 CA2 (0.63) TP53CA2CA9CA12CA1
SCHEMBL30172705 0.68 CYP2A6 (0.56) MAPTKDM4E
SCHEMBL3238945 0.68 CYP2A6 (0.56) MAPTKDM4E

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-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 TP53 2732/4885CA2 2352/4885CA9 1152/4885

“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.