SCHEMBL3666899

SCHEMBL3666899

Cc1nc(-c2ccc(OCCCCCOc3ccc(C(N)=NO)cc3)cc2)c(C(C)C)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SLC2A1 P11166 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRMT1 Q99873 3/20 0.36
F2 P00734 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36
PLAU P00749 2/20 0.36
PLG P00747 2/20 0.36
PRMT5 O14744 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
TMPRSS2 O15393 1/20 0.36

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
SCHEMBL12213745 1.00 GAA (0.53) GAARAB9ANPC1LMNATP53
SCHEMBL13686121 1.00 GAA (0.53) GAARAB9ANPC1LMNATP53
SCHEMBL3346077 0.99 GAA (0.51) GAARAB9ANPC1LMNATP53
SCHEMBL11936601 0.87 MEN1 (0.38) GAARAB9ANPC1LMNATP53
SCHEMBL727965 0.87 PRMT1 (0.53) PRMT1F2ST14PLAUPLG
Hydrochloric Acid SCHEMBL3241146 0.86 PRSS1 (0.54) PRMT1F2ST14PLAUPLG
SCHEMBL3192337 0.86 PRSS1 (0.52) PRMT1F2ST14PLAUPLG
SCHEMBL3262577 0.82 MEN1 (0.39) GAAMEN1KMT2APRMT1F2
SCHEMBL12213750 0.82 CYP19A1 (0.45) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL3842184 0.81 ALDH1A1 (0.44) GAAMAPTMEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9861601-B2 Treatment of pulmonary arterial hypertension with leukotriene inhibitors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-01-09 US disclosed
US-20160193168-A1 Treatment of Pulmonary Arterial Hypertension with Leukotriene Inhibitors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-07-07 US disclosed
US-9233089-B2 Treatment of pulmonary hypertension with leukotriene inhibitors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-01-12 US disclosed
EP-2827849-A1 TREATMENT OF PULMONARY HYPERTENSION WITH LEUKOTRIENE INHIBITORS The Board Of Trustees Of The University Of the Leland Stanford Junior University (US) 2015-01-28 EP disclosed
WO-2013142369-A1 TREATMENT OF PULMONARY HYPERTENSION WITH LEUKOTRIENE INHIBITORS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-09-26 WO disclosed
US-20130251787-A1 Treatment of Pulmonary Hypertension with Leukotriene Inhibitors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-09-26 US disclosed
EP-2146974-A1 N- HYDROXY-4-{5-[4-(5-ISOPROPYL-2-METHYL-1,3-THIAZOL-4-YL)PHENOXY]PENTOXY} BENZAMIDINE 2 ETHANSULFONIC ACID SALT, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dong Wha Pharmaceutical Co., Ltd. (KR) 2010-01-27 EP disclosed
EP-1773794-A4 AN IMPROVED PROCESS FOR PREPARING N-HYDROXY-4-[5- [4- (5-ISOPROPYL-2-METHYL-l, 3-THIAZOL-4-YL) -PHENOXY] -PENTOXY]-BENZAMIDINE DONG WHA PHARM IND CO LTD (KR) 2009-09-09 EP disclosed
WO-2008130172-A1 N- HYDROXY-4-{5-[4-(5-ISOPROPYL-2-METHYL-1,3-THIAZOL-4-YL)PHENOXY]PENTOXY} BENZAMIDINE 2 ETHANSULFONIC ACID SALT, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL CO. LTD. (KR) 2008-10-30 WO disclosed
EP-1701722-A4 N-HYDROXY-4-{5-[4-(5-ISOPROPYL-2-METHYL-1,3-THIAZOL-4-YL)PHENOXY¨]PENTOXY}BENZAMIDINE 2 METHANSULFONIC ACID SALT DONG WHA PHARM IND CO LTD (KR) 2007-05-16 EP disclosed
EP-1773333-A1 COMPOSITION FOR THE PREVENTION AND TREATMENT OF ALLERGIC INFLAMMATORY DISEASE DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 2007-04-18 EP disclosed
EP-1773794-A1 AN IMPROVED PROCESS FOR PREPARING N-HYDROXY-4-[5- [4- (5-ISOPROPYL-2-METHYL-l, 3-THIAZOL-4-YL) -PHENOXY] -PENTOXY]-BENZAMIDINE DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 2007-04-18 EP disclosed
EP-1701722-A1 N-HYDROXY-4-{5-[4-(5-ISOPROPYL-2-METHYL-1,3-THIAZOL-4-YL)PHENOXY¨]PENTOXY}BENZAMIDINE 2 METHANSULFONIC ACID SALT Dong Wha Pharmaceutical. Ind. Co., Ltd. (KR) 2006-09-20 EP disclosed
WO-2006057501-A1 N-HYDROXY-4-{5-[4-(5-ISOPROPYL-2-METHYL-1,3-THIAZOL-4-YL)PHENOXY]PENTOXY}BENZAMIDINE 2 METHANSULFONIC ACID SALT DONG WHA PHARMACEUTICAL. IND. CO., LTD. (KR) 2006-06-01 WO disclosed
WO-2006004370-A1 COMPOSITION FOR THE PREVENTION AND TREATMENT OF ALLERGIC INFLAMMATORY DISEASE DONG WHA PHARMACEUTICAL. IND. CO., LTD. (KR) 2006-01-12 WO disclosed
WO-2006004368-A1 AN IMPROVED PROCESS FOR PREPARING N-HYDROXY-4-{5- [4- (5-ISOPROPYL-2-METHYL-l, 3-THIAZOL-4-YL) -PHENOXY] -PENTOXY }-BENZAMIDINE DONG WHA PHARMACEUTICAL. IND. CO., LTD. (KR) 2006-01-12 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-20130251787-A1 Treatment of Pulmonary Hypertension with Leukotriene Inhibitors LTA4H, LTB4R2, LTB4R GAA 3902/4885RAB9A 4158/4885NPC1 3509/4885
US-20160193168-A1 Treatment of Pulmonary Arterial Hypertension with Leukotriene Inhibitors LTA4H, LTB4R2, LTB4R GAA 4096/4885RAB9A 4126/4885NPC1 3753/4885

“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.