SCHEMBL1923705

SCHEMBL1923705

CCCCCC(O)c1cnccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDE5A O76074 1/20 0.34
CXCR2 P25025 1/20 0.34
CX3CR1 P49238 1/20 0.34
PPARG P37231 2/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CYP51A1 Q16850 2/20 0.33
LMNA P02545 2/20 0.33
TOP1 P11387 1/20 0.33
POLB P06746 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL8263256 0.83 LMNA (0.35) KCNH2CYP51A1LMNA
SCHEMBL18737292 0.83 TDP1 (0.36) TDP1L3MBTL1CXCR2CX3CR1KCNA5
SCHEMBL18897311 0.83 TDP1 (0.36) TDP1L3MBTL1CXCR2CX3CR1KCNA5
SCHEMBL23347622 0.76 ADRB2 (0.53) L3MBTL1PPARGLMNA
SCHEMBL25468864 0.75 CXCR2 (0.38) L3MBTL1CXCR2CX3CR1LMNA
SCHEMBL6062586 0.75 ADRB2 (0.51) L3MBTL1PPARGLMNA
SCHEMBL20940171 0.74 TDP1 (0.37) TDP1L3MBTL1KCNA5KCNH2LMNA
SCHEMBL17318479 0.73 GAA (0.39) CYP11B2CXCR2CX3CR1KCNH2
SCHEMBL23489766 0.73 GAA (0.39) CYP11B2CXCR2CX3CR1KCNH2
SCHEMBL31473883 0.73 GAA (0.39) CYP11B2CXCR2CX3CR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107150-A1 New Compounds II PROXIMAGEN LTD (GB) 2014-04-17 US disclosed
US-8633318-B2 Compounds for treatment or prevention of inflammation, an inflammatory disease, or an immune or an autoimmune disorder PROXIMAGEN LTD (GB) 2014-01-21 US disclosed
EP-2328895-B1 Pyrazolo[4,3-c]pyridine compounds and their use as inhibitors of SSAO PROXIMAGEN LTD (GB) 2013-03-27 EP disclosed
US-20110195992-A1 NEW COMPOUNDS II PROXIMAGEN LIMITED (GB) 2011-08-11 US disclosed
EP-2328895-A1 NEW COMPOUNDS II Proximagen Limited (GB) 2011-06-08 EP disclosed
WO-2010031791-A1 NEW COMPOUNDS II BIOVITRUM AB (PUBL) (SE) 2010-03-25 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-20110195992-A1 NEW COMPOUNDS II SSB, NFKBIA, ALOX15B TDP1 1089/4885L3MBTL1 4879/4885CYP11B1 34/4885
US-20140107150-A1 New Compounds II SSB, NFKBIA, ALOX15B TDP1 1089/4885L3MBTL1 4879/4885CYP11B1 34/4885

“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.