SCHEMBL3552958

SCHEMBL3552958

O=C(O)NCc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HCRTR1 O43613 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
APEX1 P27695 1/20 0.56
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PLA2G1B P04054 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
P2RX7 Q99572 1/20 0.53

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
SCHEMBL8059189 0.86 CYP1A2 (0.68) RXFP1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL29937482 0.84 NPC1 (0.55) RXFP1MEN1KMT2AHCRTR1NPC1
SCHEMBL4588413 0.84 PLA2G1B (0.56) RXFP1NPC1RAB9AAPEX1PLA2G1B
SCHEMBL626329 0.84 CYP2C9 (0.62) CYP2C9CYP2C19MEN1KMT2AHCRTR1
SCHEMBL884912 0.84 NPC1 (0.55) RXFP1MEN1KMT2AHCRTR1NPC1
SCHEMBL3461102 0.83 NPC1 (0.70) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL24499496 0.82 NPC1 (0.61) MEN1KMT2ANPC1RAB9AAPEX1
SCHEMBL4525519 0.82 ALDH1A1 (0.72) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1385665 0.82 NPC1 (0.61) MEN1KMT2ANPC1RAB9AAPEX1
SCHEMBL1385664 0.82 NPC1 (0.61) MEN1KMT2ANPC1RAB9AAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP claimed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO claimed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
EP-1972616-A1 Derivatives of arylalkylcarbamates, process for their preparation and therapeutic application thereof Sanofi-Aventis (FR) 2008-09-24 EP disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US disclosed
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP disclosed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO disclosed
US-4642351-A TREATMENT OF OXAZOLIDINONE WITH ISOCYANATE OR ISOTHIOCYANATE THE DOW CHEMICAL COMPANY (US) 1987-02-10 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP RXFP1 3927/4885CYP1A2 237/4885CYP2D6 428/4885

“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.