SCHEMBL1336693

SCHEMBL1336693

Nc1c(F)cc(-c2ccccc2Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.49
FEN1 P39748 2/20 0.49
CYP2A6 P11509 1/20 0.47
MAOB P27338 2/20 0.43
BACE1 P56817 1/20 0.41
DHODH Q02127 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
PLA2G7 Q13093 1/20 0.40
TNKS2 Q9H2K2 1/20 0.39
USP7 Q93009 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL1336845 0.92 ALOX5AP (0.51) ALOX5APFEN1CYP2A6MAOBBACE1
SCHEMBL1337591 0.89 FEN1 (0.42) ALOX5APFEN1BACE1CA1CA2
SCHEMBL1337137 0.86 CYP2A6 (0.56) ALOX5APFEN1CYP2A6MAOBBACE1
SCHEMBL3822936 0.81 CA1 (0.43) CYP2A6DHODHCA1CA2CA9
SCHEMBL1337206 0.81 BACE1 (0.44) ALOX5APFEN1BACE1PTGS2PTGS1
SCHEMBL31297766 0.80 CYP2A6 (0.54) ALOX5APFEN1CYP2A6MAOBBACE1
SCHEMBL9762462 0.75 CYP2A6 (0.70) CYP2A6MAOBBACE1JAK2JAK1
SCHEMBL14880127 0.75 ALOX5AP (0.53) ALOX5APFEN1CYP2A6MAOBBACE1
SCHEMBL1559827 0.74 ALDH1A1 (0.47) ALOX5APFEN1PTGS2PTGS1
SCHEMBL1337677 0.74 FEN1 (0.47) ALOX5APFEN1BACE1DHODHTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 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-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR ALOX5AP 823/4885FEN1 2101/4885CYP2A6 1360/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR ALOX5AP 823/4885FEN1 2101/4885CYP2A6 1360/4885

“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.