SCHEMBL625229

SCHEMBL625229

COc1ccccc1Cc1cnc(-c2nccc(Cl)n2)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.44
CYP3A4 P08684 9/20 0.44
CYP2D6 P10635 9/20 0.44
TSHR P16473 8/20 0.44
CYP2C19 P33261 7/20 0.44
USP2 O75604 5/20 0.44
HSD17B10 Q99714 5/20 0.42
ALOX15 P16050 4/20 0.42
CLK4 Q9HAZ1 2/20 0.41
ADCY10 Q96PN6 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 6/20 0.38
MAPK1 P28482 4/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 3/20 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
SCHEMBL1011352 0.78 LMNA (0.44) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL622958 0.75 TSHR (0.45) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL13674052 0.72 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL34462910 0.69 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL3296809 0.69 IDO1 (0.61) ALDH1A1MAPTLMNAL3MBTL1IDO1
SCHEMBL7700406 0.68 LMNA (0.50) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL1443043 0.67 LMNA (0.44) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1748845 0.66 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL6754661 0.66 IDO1 (0.52) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL4464149 0.66 DHFR (0.62)

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 CYP1A2 211/4885CYP3A4 51/4885CYP2D6 233/4885
US-20130296560-A1 Novel Process For Preparation Of Bosentan BMP6, EDNRB, PAH CYP1A2 1617/4885CYP3A4 629/4885CYP2D6 46/4885

“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.