SCHEMBL3111197

SCHEMBL3111197

Cn1c(Nc2cc(CNC(=O)C3(C)CC3)ccc2Cl)nc2cc(C(=O)NCC3CCCCC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.54
CCR3 P51677 3/20 0.41
PPARG P37231 2/20 0.39
PRSS12 P56730 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
ADORA2A P29274 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL3109449 0.98 PTGES (0.54) PTGESCCR3PPARGPRSS12KDM4E
SCHEMBL3100803 0.98 PTGES (0.54) PTGESCCR3PPARGPRSS12KDM4E
SCHEMBL3106626 0.91 PTGES (0.52) PTGESCCR3PPARGPRSS12KDM4E
SCHEMBL3093257 0.90 PTGES (0.67) PTGESCCR3PPARGPRSS12KCNH2
SCHEMBL11894984 0.90 PTGES (0.47) PTGESCCR3PPARGKDM4EALDH1A1
SCHEMBL15385129 0.89 PTGES (0.47) PTGESALDH1A1THRBHPGD
SCHEMBL3099237 0.88 PTGES (0.46) PTGESALDH1A1THRBHPGD
SCHEMBL3101603 0.87 PTGES (0.48) PTGESCCR3PPARGPRSS12KDM4E
SCHEMBL3101879 0.87 PTGES (0.47) PTGESKDM4EALDH1A1HPGD
SCHEMBL3098057 0.87 PTGES (0.70) PTGESPPARGKCNH2CACNA1I

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 307/4885CCR3 274/4885PPARG 1530/4885
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885CCR3 962/4885PPARG 446/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885CCR3 274/4885PPARG 1530/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885CCR3 274/4885PPARG 1530/4885

“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.