SCHEMBL7201414

SCHEMBL7201414

O=C(Nc1cc2ccccc2[nH]c1=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.59
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ROCK2 O75116 1/20 0.50
PLAU P00749 1/20 0.49
CASP3 P42574 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MGLL Q99685 1/20 0.47
KDR P35968 1/20 0.47
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
TSHR P16473 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL9127304 0.81 CCKAR (0.60) NPC1RAB9A
SCHEMBL948055 0.78 NPC1 (0.53) MAOBNPC1RAB9AROCK2PLAU
SCHEMBL7283277 0.77 NPC1 (0.52) MAOBNPC1RAB9AROCK2PLAU
SCHEMBL7342183 0.77 NPC1 (0.56) MAOBNPC1RAB9AROCK2PLAU
SCHEMBL9127299 0.77 NPC1 (0.67) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL7274760 0.77 NPC1 (0.55) MAOBNPC1RAB9AROCK2CASP3
SCHEMBL4416727 0.76 NPC1 (0.62) MAOBNPC1RAB9AROCK2CASP3
SCHEMBL7268166 0.76 MAOB (0.61) MAOBNPC1RAB9APLAUCASP3
SCHEMBL6556065 0.75 NPC1 (0.53) MAOBNPC1RAB9AROCK2CASP3
SCHEMBL7315228 0.75 NPC1 (0.53) MAOBNPC1RAB9AROCK2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656910-B2 Serine protease inhibitors CORTECH, INC. 2003-12-02 US disclosed
US-6656911-B2 Oxadiazole ring structure peptoids which are useful as inhibitors of serine proteases CORTECH, INC. 2003-12-02 US disclosed
US-20030203851-A1 Substituted oxadiazole, peptoids which are useful for treating adult respiratory distress syndrome, septic shock and myocardial ischemia-reperfusion injury CORTECH, INC. 2003-10-30 US disclosed
US-6608175-B2 Oxadiazole, thiadiazoles or triazole metal derivatives reacted with an amine containing aldehyde, deprotecting, coupling with an acid and oxidizing to create substituted oxadiazole, thiadiazole or triazole peptoids CORTECH, INC. 2003-08-19 US disclosed
US-20030060418-A1 Serine protease inhibitors CORTECH, INC. 2003-03-27 US disclosed
US-20020119998-A1 Serine protease inhibitors CORTECH, INC. 2002-08-29 US disclosed
US-20020119985-A1 Serine protease inhibitors CORTECH, INC. 2002-08-29 US disclosed
US-6150334-A SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE STRUCTURES WHICH ARE USEFUL AS INHIBITORS OF SERINE PROTEASES, INCLUDING HUMAN NEUTROPHIL ELASTASE CORTECH, INC. 2000-11-21 US disclosed
US-6015791-A Serine protease inhibitors-cycloheptane derivatives CORTECH INC. (US) 2000-01-18 US disclosed
US-6001811-A TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPSIS, MULTIPLE ORGAN FAILURE CORTECH INC. (US) 1999-12-14 US disclosed
US-5998379-A USEFUL AS INHIBITORS OF SERINE PROTEASES, IN PARTICULAR HUMAN NEUTROPHIL ELASTASE, TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPTIC SHOCK, AND MYOCARDIAL ISCHEMIA-REPERFUSION INJURY CORTECH INC. (US) 1999-12-07 US disclosed
EP-0954526-A2 SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1999-11-10 EP disclosed
US-5891852-A Serine protease inhibitors-cycloheptane derivatives CORTECH, INC. (US) 1999-04-06 US disclosed
US-5869455-A SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS WHICH ARE USEFUL AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1999-02-09 US disclosed
US-5861380-A OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE; ADULT RESPIRATORY DISTRESS SYNDROME; ANTIARTHRITIC,-INFLAMMATORY,-ISCHEMIC,-TUMOR AND -CARCINOGENIC AGENTS AND OTHER HNE-MEDIATED CONDITIONS CORTECH, INC. (US) 1999-01-19 US disclosed
US-5807829-A RESPIRATORY SYSTEM DISORDERS; SESPIC SHOCK; ORGAN FAILURE CORTECH, INC. (US) 1998-09-15 US disclosed
US-5801148-A Serine protease inhibitors-proline analogs CORTECH, INC. (US) 1998-09-01 US disclosed
WO-1998024806-A2 SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1998-06-11 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 (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-20020119985-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 MAOB 3494/4885NPC1 4186/4885RAB9A 4168/4885
US-20030203851-A1 Substituted oxadiazole, peptoids which are useful for treating adult respiratory distress syndrome, septic shock and myocardial ischemia-reperfusion injury TNNI3, PEPD, STK35 MAOB 3448/4885NPC1 4718/4885RAB9A 4431/4885
US-20030060418-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 MAOB 3494/4885NPC1 4186/4885RAB9A 4168/4885
US-20020119998-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 MAOB 3494/4885NPC1 4186/4885RAB9A 4168/4885

“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.