SCHEMBL1552773

SCHEMBL1552773

Cc1nn(Cc2ccccc2)c2ccccc12.O=C(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SLC16A3 O15427 1/20 0.54
F2RL3 Q96RI0 1/20 0.54
GLS O94925 1/20 0.53
PDE5A O76074 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
CNR1 P21554 1/20 0.51
ACHE P22303 1/20 0.51
CNR2 P34972 1/20 0.51
GAA P10253 2/20 0.51
SLC22A12 Q96S37 4/20 0.50
PTGER4 P35408 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL13777341 0.92 L3MBTL1 (0.62) POLBL3MBTL1MEN1KMT2ASLC16A3
SCHEMBL3213906 0.83 PTGER4 (0.61) SLC16A3F2RL3PDE5ANPC1LMNA
SCHEMBL17516325 0.83 GLS (0.57) L3MBTL1MEN1KMT2AGLSPDE5A
SCHEMBL8572377 0.82 SLC22A12 (0.61) POLBMEN1KMT2ASLC22A12
SCHEMBL1554013 0.80 SLC22A12 (0.73) POLBMEN1KMT2ASLC22A12
SCHEMBL14977456 0.80 SLC22A12 (0.59) POLBL3MBTL1MEN1KMT2AF2RL3
SCHEMBL27465301 0.80 SLC2A1 (0.55) POLBL3MBTL1MEN1KMT2AGLS
SCHEMBL3354341 0.80 HSD17B10 (0.65) KMT2AGLSLMNAKDM4E
SCHEMBL16125529 0.79 POLB (0.50) POLBL3MBTL1MEN1KMT2ASLC16A3
SCHEMBL17324681 0.79 PTGER4 (0.60) MEN1KMT2ASLC16A3F2RL3PDE5A

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-0934307-B1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2011-04-27 EP disclosed
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed
US-7329675-B2 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2008-02-12 US disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 US disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 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 (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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR POLB 1006/4885L3MBTL1 4122/4885MEN1 3731/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 POLB 2680/4885L3MBTL1 2102/4885MEN1 3320/4885

“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.