SCHEMBL3103940

SCHEMBL3103940

Cn1c(Nc2cc(CNC(=O)c3c(F)cccc3Cl)ccc2Cl)nc2cc(C(=O)NCC3CCCCC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.50
P2RX7 Q99572 1/20 0.41
ADORA2A P29274 2/20 0.39
PPARG P37231 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 2/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3106626 0.87 PTGES (0.52) PTGESP2RX7PPARGHDAC6THRB
SCHEMBL3093257 0.85 PTGES (0.67) PTGESP2RX7PPARGHDAC6
SCHEMBL3111197 0.84 PTGES (0.54) PTGESP2RX7ADORA2APPARGHDAC6
SCHEMBL3101603 0.84 PTGES (0.48) PTGESPPARGHDAC6THRBLMNA
SCHEMBL3100803 0.84 PTGES (0.54) PTGESP2RX7PPARGHDAC6THRB
SCHEMBL3109449 0.84 PTGES (0.54) PTGESP2RX7PPARGHDAC6THRB
SCHEMBL24625984 0.83 PTGES (0.45) PTGESP2RX7ADORA2AHDAC6LMNA
SCHEMBL11961905 0.83 PTGES (0.52) PTGES
SCHEMBL11961899 0.83 PTGES (0.48) PTGESP2RX7PPARGHDAC6THRB
SCHEMBL13100030 0.83 PTGES (0.52) PTGESPPARGHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2019-02-07 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 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 (4 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885P2RX7 54/4885ADORA2A 871/4885
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885P2RX7 262/4885ADORA2A 147/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885P2RX7 54/4885ADORA2A 871/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885P2RX7 54/4885ADORA2A 871/4885

“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.