SCHEMBL622958

SCHEMBL622958

COc1ccccc1Cc1c(Cl)nc(-c2ncccn2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
CYP1A2 P05177 6/20 0.45
CYP3A4 P08684 6/20 0.45
CYP2D6 P10635 6/20 0.45
CYP2C19 P33261 5/20 0.45
USP2 O75604 4/20 0.45
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
HSD17B10 Q99714 4/20 0.43
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 3/20 0.43
IDO1 P14902 2/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PNP P00491 1/20 0.40
MAPT P10636 2/20 0.39
CLK4 Q9HAZ1 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
SCHEMBL20212343 0.81 ADCY10 (0.52) IDO1LMNAKDM4EPNPADCY10
SCHEMBL1748845 0.80 ALDH1A1 (0.53) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL625229 0.75 CYP1A2 (0.44) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29770374 0.75 DHPS (0.58) EDNRBEDNRA
SCHEMBL618135 0.75 DHPS (0.58) EDNRBEDNRA
SCHEMBL20212189 0.73 NPSR1 (0.59) PNPADCY10
SCHEMBL855710 0.72 ALDH1A1 (0.44) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8329979 0.71 SMN1; SMN2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1442342 0.71 L3MBTL1 (0.66) HSD17B10ALOX15ALDH1A1LMNAL3MBTL1
SCHEMBL27868745 0.71 ALDH1A1 (0.40) TSHRALDH1A1LMNAMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603497-B1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN MEGAFINE PHARMA P LTD (IN) 2018-08-08 EP disclosed
US-9139537-B2 Process for preparation of bosentan MEGAFINE PHARMA(P) LTD. (IN) 2015-09-22 US disclosed
US-20130296560-A1 Novel Process For Preparation Of Bosentan MEGAFINE PHARMA (P) LTD. (IN) 2013-11-07 US disclosed
WO-2013136110-A1 PROCESS FOR THE PREPARATION OF BOSENTAN MONOHYDRATE NATCO PHARMA LIMITED (IN) 2013-09-19 WO disclosed
US-20130245259-A1 PROCESS FOR THE PREPARATION OF BOSENTAN MONOHYDRATE NATCO PHARMA LIMITED (IN) 2013-09-19 US disclosed
EP-2603497-A1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN Megafine Pharma (P) Ltd. (IN) 2013-06-19 EP disclosed
WO-2012020421-A1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN MEGAFINE PHARMA (P) LTD. (IN) 2012-02-16 WO 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-20130245259-A1 PROCESS FOR THE PREPARATION OF BOSENTAN MONOHYDRATE VASP, EDNRB, PTGIR TSHR 3425/4885CYP1A2 211/4885CYP3A4 51/4885
US-20130296560-A1 Novel Process For Preparation Of Bosentan BMP6, EDNRB, PAH TSHR 1243/4885CYP1A2 1617/4885CYP3A4 629/4885

“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.