SCHEMBL3106258

SCHEMBL3106258

Cn1c(Nc2cc(CNC(=O)C3(C)CCCCC3)ccc2Cl)nc2cc(S(=O)(=O)NC3CCCC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.44
LMNA P02545 6/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NAMPT P43490 3/20 0.39
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL3106264 0.88 LMNA (0.41) PTGESLMNAGAASMN1; SMN2HPGD
SCHEMBL24626138 0.88 PTGES (0.48) PTGESLMNASMN1; SMN2HPGDALDH1A1
SCHEMBL3104356 0.88 PTGES (0.43) PTGESLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL3099237 0.85 PTGES (0.46) PTGESSMN1; SMN2HPGDALDH1A1POLB
SCHEMBL3093498 0.82 PTGES (0.51) PTGESHPGDPOLBKMT2AMEN1
SCHEMBL15385129 0.82 PTGES (0.47) PTGESHPGDALDH1A1POLBKMT2A
SCHEMBL3100803 0.82 PTGES (0.54) PTGESHPGDALDH1A1NAMPT
SCHEMBL3109449 0.82 PTGES (0.54) PTGESHPGDALDH1A1NAMPT
SCHEMBL3098864 0.81 ITK (0.45) PTGES
SCHEMBL3101642 0.81 PTGES (0.47) PTGESLMNASMN1; SMN2HPGDALDH1A1

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 12 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
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 (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 307/4885LMNA 1740/4885GAA 1712/4885
US-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885LMNA 1465/4885GAA 1014/4885
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885LMNA 1465/4885GAA 1014/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885LMNA 1740/4885GAA 1712/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885LMNA 1740/4885GAA 1712/4885

“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.