SCHEMBL6822322

SCHEMBL6822322

COC(=O)c1cc(-c2ccccc2C(F)(F)F)on1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.60
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 1/20 0.55
SCD5 Q86SK9 1/20 0.51
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL29775825 0.86 TSHR (0.49) NOTUMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL19814624 0.86 TSHR (0.49) NOTUMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL29775908 0.83 SCD5 (0.58) RAB9ANPC1SMN1; SMN2KMT2ATSHR
SCHEMBL6818423 0.83 SCD5 (0.58) RAB9ANPC1SMN1; SMN2KMT2ATSHR
SCHEMBL6818243 0.82 MAPT (0.54) NOTUMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4258916 0.80 MAPT (0.59) NOTUMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6818530 0.80 MAPT (0.55) NOTUMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL21361939 0.79 NPC1 (0.65) NOTUMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4943598 0.76 SMN1; SMN2 (0.76) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL11640729 0.75 SCD5 (0.46) RAB9ANPC1SMN1; SMN2KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 NOTUM 3088/4885RAB9A 4337/4885NPC1 3778/4885

“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.