SCHEMBL3410482

SCHEMBL3410482

N#Cc1ccc(C[CH]c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
LOXL2 Q9Y4K0 2/20 0.42
CYP2A6 P11509 1/20 0.42
CNR1 P21554 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NLRP3 Q96P20 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 2/20 0.40
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
POLB P06746 2/20 0.39
IDO1 P14902 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38

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
SCHEMBL6032402 0.91 LOXL2 (0.50) MAOAMAOBLOXL2CYP2A6HTT
SCHEMBL9588199 0.84 HSD17B10 (0.50) MAOBCYP2A6HTTLMNAMAPT
SCHEMBL7666461 0.82 CYP2A6 (0.68) MAOAMAOBLOXL2CYP2A6LMNA
SCHEMBL5208544 0.81 MAOB (0.53) MAOAMAOBLOXL2CYP2A6HTT
SCHEMBL4857111 0.80 MRGPRX4 (0.49) MAOAMAOBCNR1CYP19A1PSEN1
SCHEMBL4304998 0.79 NPC1 (0.44) MAOAMAOBLOXL2CYP2A6LMNA
SCHEMBL6435082 0.79 NPC1 (0.44) MAOAMAOBLOXL2CYP2A6LMNA
SCHEMBL10804609 0.78 MAOB (0.44) MAOAMAOBLOXL2CYP2A6HTT
SCHEMBL19437177 0.78 MAOB (0.41) MAOAMAOBLOXL2CYP2A6CYP19A1
SCHEMBL6407846 0.77 MAOA (0.46) MAOAMAOBLOXL2CYP2A6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP claimed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP claimed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO claimed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 US claimed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 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-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 MAOA 3087/4885MAOB 3037/4885LOXL2 3985/4885

“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.