SCHEMBL1552923

SCHEMBL1552923

COC(=O)c1ccc(OC)c(NC(=N)COc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.55
MDH2 P40926 1/20 0.55
GAA P10253 3/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL1553492 0.92 MDH1 (0.59) MDH1MDH2GAAMAPTALDH1A1
SCHEMBL1554005 0.89 MAPT (0.64) MDH1MDH2GAAMAPTALDH1A1
SCHEMBL1553609 0.85 KMT2A (0.51) MDH1MDH2GAAMAPTALDH1A1
SCHEMBL1553407 0.83 HDAC1 (0.60) GAAMAPTALDH1A1TSHRHSD17B10
SCHEMBL1553419 0.81 LTB4R (0.57) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL15808417 0.81 MAPT (0.50) MDH1MDH2GAAMAPTALDH1A1
SCHEMBL1554111 0.80 HDAC1 (0.58) GAAMAPTALDH1A1TSHRHSD17B10
SCHEMBL1553515 0.80 MAPT (0.49) GAAMAPTALDH1A1TSHRHSD17B10
SCHEMBL1553674 0.79 NPSR1 (0.57) MAPTALDH1A1TSHRHSD17B10LMNA
Hydrochloric Acid SCHEMBL1579963 0.79 HDAC1 (0.56) GAAMAPTALDH1A1TSHRHSD17B10

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-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

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 MDH1 2200/4885MDH2 1945/4885GAA 2226/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 MDH1 3296/4885MDH2 2431/4885GAA 4864/4885

“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.