SCHEMBL3530860

SCHEMBL3530860

CCn1c(C)cc(=O)n1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.41
KDM4E B2RXH2 2/20 0.37
NOTUM Q6P988 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MGLL Q99685 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARK7 Q99497 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIA2 P42262 1/20 0.33

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
SCHEMBL4322190 0.83 NAPRT (0.61) NAPRTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23918458 0.81 NAPRT (0.50) NAPRTL3MBTL1SMN1; SMN2MGLLMAPT
SCHEMBL10998478 0.78 MAPT (0.48) L3MBTL1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL3531406 0.77 NAPRT (0.68) NAPRTKDM4ENOTUML3MBTL1MGLL
SCHEMBL3533087 0.77 MCHR1 (0.33) PARK7GRIA2
SCHEMBL4341101 0.70 NAPRT (0.62) NAPRTSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL3528744 0.67 HSD11B1 (0.43) MAPTMEN1KMT2A
SCHEMBL5482874 0.67 NAPRT (0.49) NAPRTKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL17035275 0.67 NAPRT (0.62) NAPRTKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL3529353 0.64 HSD11B1 (0.38) L3MBTL1SMN1; SMN2NPC1ALDH1A1MAPT

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-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 NAPRT 2057/4885KDM4E 2143/4885NOTUM 1893/4885

“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.