SCHEMBL1921967

SCHEMBL1921967

O=C(c1ccc(Cl)cc1)c1cnccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
NR4A1 P22736 1/20 0.47
MAPK1 P28482 2/20 0.46
SRD5A2 P31213 2/20 0.46
KMT2A Q03164 4/20 0.45
NT5E P21589 1/20 0.45
LMNA P02545 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
ADORA1 P30542 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL22492820 0.89 ROCK2 (0.57) ROCK2ROCK1POLBMAPK1KMT2A
SCHEMBL5700207 0.86 KMT2A (0.55) ROCK2ROCK1NPC1NR4A1KMT2A
SCHEMBL1040762 0.83 NR4A1 (0.62) NPC1POLBNR4A1MAPK1SRD5A2
SCHEMBL9261793 0.83 KMT2A (0.50) ROCK2ROCK1NPC1POLBMAPK1
SCHEMBL4859699 0.82 MAPT (0.49) ROCK2ROCK1NPC1POLBLMNA
SCHEMBL9259850 0.82 JAK2 (0.50) ROCK2ROCK1NPC1POLBSRD5A2
SCHEMBL7087043 0.80 ALDH1A1 (0.50) ROCK2ROCK1NPC1POLBKMT2A
SCHEMBL8852563 0.78 NPC1 (0.58) NPC1POLBNR4A1MAPK1SRD5A2
SCHEMBL1156055 0.77 LMNA (0.63) MAPK1SRD5A2KMT2ANT5ELMNA
SCHEMBL3481832 0.75 JAK2 (0.59) NPC1POLBSRD5A2KMT2ALMNA

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 ROCK2 1641/4885ROCK1 2138/4885NPC1 639/4885
US-20140107150-A1 New Compounds II SSB, NFKBIA, ALOX15B ROCK2 1641/4885ROCK1 2138/4885NPC1 639/4885

“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.