SCHEMBL2932454

SCHEMBL2932454

O=C(O)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ATM Q13315 1/20 0.51
FAAH O00519 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
AKR1C3 P42330 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL15265471 0.92 GPR183 (0.50) L3MBTL1PKMNPSR1ATMFAAH
SCHEMBL20570029 0.91 ATM (0.47) L3MBTL1PKMNPSR1ATMFAAH
SCHEMBL16795240 0.85 PKM (0.53) L3MBTL1PKMNPSR1ATMFAAH
SCHEMBL15265427 0.85 HTR7 (0.46) L3MBTL1PKMNPSR1ATMFAAH
SCHEMBL626318 0.85 L3MBTL1 (0.53) L3MBTL1PKMNPSR1ATMFAAH
SCHEMBL2931705 0.84 AKR1C3 (0.65) FAAHKMT2ALMNAMEN1SIGMAR1
SCHEMBL2930424 0.84 SIGMAR1 (0.73) L3MBTL1ATMFAAHSMN1; SMN2KMT2A
SCHEMBL1497374 0.83 KDM4E (0.48) L3MBTL1ATMFAAHSMN1; SMN2KMT2A
SCHEMBL20570341 0.82 FAAH (0.67) FAAHLMNAALDH1A1
SCHEMBL5571317 0.81 LMNA (0.46) L3MBTL1FAAHSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP claimed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 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 (2 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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R L3MBTL1 4803/4885PKM 2943/4885NPSR1 1358/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 L3MBTL1 3583/4885PKM 1976/4885NPSR1 1061/4885

“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.