SCHEMBL3108313

SCHEMBL3108313

Cn1c(Nc2cc(CNC(=O)C3(C)CCCCC3)ccc2Cl)nc2cc(C(=O)NCCN3CCCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CACNA1G O43497 4/20 0.41
IKBKB O14920 1/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
PTGER4 P35408 1/20 0.41
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
SUV39H1 O43463 1/20 0.40

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
SCHEMBL15380924 0.92 HDAC6 (0.42) PTGESHDAC6KMT2AMEN1CACNA1G
SCHEMBL3094236 0.88 PTGES (0.45) PTGESKMT2AMEN1ALDH1A1
SCHEMBL11894984 0.88 PTGES (0.47) PTGESHDAC6KMT2AMEN1TP53
SCHEMBL3112010 0.88 PTGES (0.44) PTGESHDAC6KMT2AMEN1TP53
SCHEMBL3099237 0.88 PTGES (0.46) PTGESKMT2AMEN1TP53MAPT
SCHEMBL3109449 0.87 PTGES (0.54) PTGESHDAC6ALDH1A1NAMPT
SCHEMBL3100803 0.87 PTGES (0.54) PTGESHDAC6ALDH1A1NAMPT
SCHEMBL3101831 0.85 KDM4E (0.44) PTGESHDAC6KMT2AMEN1TP53
SCHEMBL3106295 0.85 PTGES (0.52) PTGESHDAC6KMT2AMEN1TP53
SCHEMBL3111197 0.85 PTGES (0.54) PTGESHDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2022-07-14 US disclosed
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
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-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 (5 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 307/4885HDAC6 460/4885KMT2A 3186/4885
US-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885HDAC6 2405/4885KMT2A 3186/4885
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885HDAC6 2405/4885KMT2A 3186/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885HDAC6 460/4885KMT2A 3186/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885HDAC6 460/4885KMT2A 3186/4885

“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.